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CAS 41805-59-8 (1-(4-Methylpiperazin-1-yl)cyclohexyl)methanamine molecular structure lightbox
CAS RN: 41805-59-8

(1-(4-Methylpiperazin-1-yl)cyclohexyl)methanamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 50mg / 250mg Out of stock 8-10 business days Inquiry
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41805-59-8 / [1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine

(1-(4-methylpiperazin-1-yl)cyclohexyl)methanamine | 1-[1-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL]METHANAMINE | [1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine

Standard CAS: 41805-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
41805-59-8
Multi CAS
No
Molecular Formula
C12H25N3
Molecular Weight
211.350000
Exact Mass
211.204848
SMILES
CN1CCN(CC1)C2(CCCCC2)CN
InChI
InChI=1S/C12H25N3/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12/h2-11,13H2,1H3
InChIKey
JVUTULSYUBFRCR-UHFFFAOYSA-N
Synonyms
(1-(4-methylpiperazin-1-yl)cyclohexyl)methanamine 1-[1-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL]METHANAMINE [1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine MFCD05201359 SCHEMBL16143384

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.94
TPSA
32.5

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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