3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine

C15H22ClN3 — CID 166600645

IUPAC3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
SMILESClc1cnccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H22ClN3/c16-14-12-17-7-4-15(14)19-10-5-13(6-11-19)18-8-2-1-3-9-18/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyYOCAIRJSGQYMHB-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.19
Rot. Bonds2

About 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine

3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine (PubChem CID 166600645) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
PubChem CID166600645
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
SMILESClc1cnccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H22ClN3/c16-14-12-17-7-4-15(14)19-10-5-13(6-11-19)18-8-2-1-3-9-18/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyYOCAIRJSGQYMHB-UHFFFAOYSA-N
XLogP3.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133351817
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946420
N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247363
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
3-chloro-4-(3-methylazetidin-1-yl)pyridine
CID 142532055
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
3-chloro-4-[2-(2-chloroethyl)piperidin-1-yl]pyridine
CID 79840944
1-[1-(3-chloropyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 118793030
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
The IUPAC name of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine (CID 166600645) is 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine is Clc1cnccc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
The InChIKey is YOCAIRJSGQYMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-12-17-7-4-15(14)19-10-5-13(6-11-19)18-8-2-1-3-9-18/h4,7,12-13H,1-3,5-6,8-11H2.
What are the key properties of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine has a molecular weight of 279.81 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 166600645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).