2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine

C15H22ClN3 — CID 63587650

IUPAC2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
SMILESClc1cccc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C15H22ClN3/c16-14-5-4-6-15(17-14)19-11-7-13(8-12-19)18-9-2-1-3-10-18/h4-6,13H,1-3,7-12H2
InChIKeyXGBFFLPGIYZVGJ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.19
Rot. Bonds2

About 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine

2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine (PubChem CID 63587650) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
PubChem CID63587650
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
SMILESClc1cccc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C15H22ClN3/c16-14-5-4-6-15(17-14)19-11-7-13(8-12-19)18-9-2-1-3-10-18/h4-6,13H,1-3,7-12H2
InChIKeyXGBFFLPGIYZVGJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329
2-(6-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63586162
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
CID 71192818
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80827880
6-(4-cyclopropylpiperazin-1-yl)pyridin-2-amine
CID 80653303
3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66372105
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
CID 63588602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine (CID 63587650) is 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine is Clc1cccc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
The InChIKey is XGBFFLPGIYZVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-5-4-6-15(17-14)19-11-7-13(8-12-19)18-9-2-1-3-10-18/h4-6,13H,1-3,7-12H2.
What are the key properties of 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine?
2-chloro-6-(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 2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 63587650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).