1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol

C21H27ClN4O — CID 70795335

IUPAC1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)CC1
InChIInChI=1S/C21H27ClN4O/c22-18-14-23-20(24-15-5-2-1-3-6-15)13-17(18)19-7-4-8-21(25-19)26-11-9-16(27)10-12-26/h4,7-8,13-16,27H,1-3,5-6,9-12H2,(H,23,24)
InChIKeyODOWVYOPHSEJFX-UHFFFAOYSA-N
MW386.93 g/mol
LogP4.50
Rot. Bonds4

About 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol

1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol (PubChem CID 70795335) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol
PubChem CID70795335
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)CC1
InChIInChI=1S/C21H27ClN4O/c22-18-14-23-20(24-15-5-2-1-3-6-15)13-17(18)19-7-4-8-21(25-19)26-11-9-16(27)10-12-26/h4,7-8,13-16,27H,1-3,5-6,9-12H2,(H,23,24)
InChIKeyODOWVYOPHSEJFX-UHFFFAOYSA-N
XLogP4.50
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol (CID 70795335) is 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)CC1.
What is the InChIKey of 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is ODOWVYOPHSEJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c22-18-14-23-20(24-15-5-2-1-3-6-15)13-17(18)19-7-4-8-21(25-19)26-11-9-16(27)10-12-26/h4,7-8,13-16,27H,1-3,5-6,9-12H2,(H,23,24).
What are the key properties of 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol?
1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 386.93 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 70795335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).