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CAS 1084976-68-0 4-(1-Methyl-1H-imidazol-2-yl)piperidine molecular structure lightbox
CAS RN: 1084976-68-0

4-(1-Methyl-1H-imidazol-2-yl)piperidine

  • Product code: SSC-009791
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1084976-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1084976-68-0 / 4-(1-methylimidazol-2-yl)piperidine

4-(1-Methyl-1H-imidazol-2-yl)piperidine | 4-(1-methylimidazol-2-yl)piperidine | MFCD09909010

Standard CAS: 1084976-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1084976-68-0
Multi CAS
No
Molecular Formula
C9H15N3
Molecular Weight
165.240000
Exact Mass
165.126597
SMILES
CN1C=CN=C1C2CCNCC2
InChI
InChI=1S/C9H15N3/c1-12-7-6-11-9(12)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3
InChIKey
RBCWEOIVHCTFFN-UHFFFAOYSA-N
Synonyms
4-(1-Methyl-1H-imidazol-2-yl)piperidine 4-(1-methylimidazol-2-yl)piperidine MFCD09909010 piperidine, 4-(1-methyl-1H-imidazol-2-yl)-, dihydrochloride SCHEMBL15942427

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.05
TPSA
29.85

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.2
Consensus LogP
0.62
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.1

Drug-likeness / Medicinal Chemistry

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

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