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CAS 1211532-41-0 5-(4-PiperidinylMethyl)pyriMidine molecular structure lightbox
CAS RN: 1211532-41-0

5-(4-PiperidinylMethyl)pyriMidine

  • Product code: SSC-022659
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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 1211532-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1211532-41-0 / 5-(piperidin-4-ylmethyl)pyrimidine

5-(piperidin-4-ylmethyl)pyrimidine | 5-(4-Piperidinylmethyl)pyrimidine | MFCD15147181

Standard CAS: 1211532-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211532-41-0
Multi CAS
No
Molecular Formula
C10H15N3
Molecular Weight
177.250000
Exact Mass
177.126597
SMILES
C1CNCCC1CC2=CN=CN=C2
InChI
InChI=1S/C10H15N3/c1-3-11-4-2-9(1)5-10-6-12-8-13-7-10/h6-9,11H,1-5H2
InChIKey
PMOXDCKHIJDMRP-UHFFFAOYSA-N
Synonyms
5-(piperidin-4-ylmethyl)pyrimidine 5-(4-Piperidinylmethyl)pyrimidine MFCD15147181 5-Piperidin-4-ylmethyl-pyrimidine 5-(4-piperidylmethyl)pyrimidine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.33
TPSA
37.81

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.08

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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