CAS RN: 1185002-39-4
3-(2-Methoxyethyl)piperidine hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS1185002-39-4
- Purity/Analytical Methods: >99.0%
1185002-39-4 / 3-(2-methoxyethyl)piperidine;hydrochloride
3-(2-Methoxyethyl)piperidine hydrochloride | MFCD11845785 | 3-(2-methoxyethyl)piperidine;hydrochloride
Basic Information
CAS
1185002-39-4
Multi CAS
No
Molecular Formula
C8H18ClNO
Molecular Weight
179.690000
Exact Mass
179.107692
SMILES
COCCC1CCCNC1.Cl
InChI
InChI=1S/C8H17NO.ClH/c1-10-6-4-8-3-2-5-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKey
LNEPGMBVTQYNPB-UHFFFAOYSA-N
Synonyms
3-(2-Methoxyethyl)piperidine hydrochloride
MFCD11845785
3-(2-methoxyethyl)piperidine;hydrochloride
SCHEMBL772084
3-(2-Methoxyethyl)piperidine HCl
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.33
TPSA
21.26
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(2-NAPHTHYLMETHYL)HYDRAZINE DIHYDROCHLORIDE
- CAS RN: 1185006-80-7
- Product Code: SSC-018299
-
2′,4′,6′,7′-tetrahydrospiro[1,3-dioxolane-2,5′-indazole] hydrochloride
- CAS RN: 1185012-60-5
- Product Code: starshine_CAS1185012-60-5
- Purity/Analytical method: >99.0%
-
(4-BENZYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE
- CAS RN: 1185013-84-6
- Product Code: starshine_CAS1185013-84-6
- Purity/Analytical method: >99.0%
-
1-(2-methoxy-4-nitrophenyl)-3-methyl-1H-1,2,4-triazole
- CAS RN: 1185019-82-2
- Product Code: SSC-018301
-
2-Methoxy-4-nitrophenylboronic acid pinacol ester
- CAS RN: 1185019-97-9
- Product Code: SSC-018302
-
(6-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride
- CAS RN: 1185022-87-0
- Product Code: SSC-018303
![CAS 1185012-60-5 2′,4′,6′,7′-tetrahydrospiro[1,3-dioxolane-2,5′-indazole] hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185012-60-5.gif)
