1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane

C16H24ClN3 — CID 133454485

IUPAC1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
SMILESClc1ccc(N2CCCC(N3CCCCCC3)C2)nc1
InChIInChI=1S/C16H24ClN3/c17-14-7-8-16(18-12-14)20-11-5-6-15(13-20)19-9-3-1-2-4-10-19/h7-8,12,15H,1-6,9-11,13H2
InChIKeyYRJNBEGRHBZNGL-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.58
Rot. Bonds2

About 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane

1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane (PubChem CID 133454485) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane.

Molecular Properties

Compound Name1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
PubChem CID133454485
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
SMILESClc1ccc(N2CCCC(N3CCCCCC3)C2)nc1
InChIInChI=1S/C16H24ClN3/c17-14-7-8-16(18-12-14)20-11-5-6-15(13-20)19-9-3-1-2-4-10-19/h7-8,12,15H,1-6,9-11,13H2
InChIKeyYRJNBEGRHBZNGL-UHFFFAOYSA-N
XLogP3.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80634216
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80635052
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 66823430
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
CID 133454492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane?
The IUPAC name of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane (CID 133454485) is 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane.
What is the SMILES notation for 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane?
The canonical SMILES for 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane is Clc1ccc(N2CCCC(N3CCCCCC3)C2)nc1.
What is the InChIKey of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane?
The InChIKey is YRJNBEGRHBZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-14-7-8-16(18-12-14)20-11-5-6-15(13-20)19-9-3-1-2-4-10-19/h7-8,12,15H,1-6,9-11,13H2.
What are the key properties of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane?
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane has a molecular weight of 293.84 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane is sourced from PubChem (CID 133454485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).