CAS 90747-20-9 Piperidine, 4-[2-(1H-imidazol-1-yl)ethyl]- molecular structure

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CAS RN: 90747-20-9

Piperidine, 4-[2-(1H-imidazol-1-yl)ethyl]-

Product code: SSC-203367

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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: 1g
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 90747-20-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

90747-20-9 / 4-(2-imidazol-1-ylethyl)piperidine

Standard CAS: 90747-20-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

90747-20-9

Multi CAS

Molecular Formula

C10H17N3

Molecular Weight

179.260000

Exact Mass

179.142248

InChI

InChI=1S/C10H17N3/c1-4-11-5-2-10(1)3-7-13-8-6-12-9-13/h6,8-11H,1-5,7H2

InChIKey

PPIJGGILSYOSSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.7

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

52.44

TPSA

29.85

LogP / Solubility

WLOGP

1.27

MLOGP

1.12

XLogP3

0.6

Consensus LogP

Log S (ESOL)

-1.84

Class (ESOL)

Soluble

Log S (Ali)

-1.95

Class (Ali)

Soluble

Log S (SILICOS-IT)

-2.24

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.91

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Piperidine, 4-[2-(1H-imidazol-1-yl)ethyl]-

Historical Supply Reference

Reference Pack Sizes

90747-20-9 / 4-(2-imidazol-1-ylethyl)piperidine

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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