3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride

C15H25ClN2 — CID 171315964

IUPAC3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
SMILESCCCCCN1CCCCC1c1cccnc1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-2-3-5-11-17-12-6-4-9-15(17)14-8-7-10-16-13-14;/h7-8,10,13,15H,2-6,9,11-12H2,1H3;1H
InChIKeyROXCPCCYWSDFIC-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.22
Rot. Bonds5

About 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride

3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride (PubChem CID 171315964) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
PubChem CID171315964
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
SMILESCCCCCN1CCCCC1c1cccnc1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-2-3-5-11-17-12-6-4-9-15(17)14-8-7-10-16-13-14;/h7-8,10,13,15H,2-6,9,11-12H2,1H3;1H
InChIKeyROXCPCCYWSDFIC-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
1-butyl-2-phenylpiperidine
CID 10036306
2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine
CID 106707925
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709

Frequently Asked Questions

What is the IUPAC name of 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride?
The IUPAC name of 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride (CID 171315964) is 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride.
What is the SMILES notation for 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride?
The canonical SMILES for 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride is CCCCCN1CCCCC1c1cccnc1.Cl.
What is the InChIKey of 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride?
The InChIKey is ROXCPCCYWSDFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-2-3-5-11-17-12-6-4-9-15(17)14-8-7-10-16-13-14;/h7-8,10,13,15H,2-6,9,11-12H2,1H3;1H.
What are the key properties of 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride?
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 171315964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).