[1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol

C15H24ClN3O — CID 131908054

IUPAC[1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCNCc2cnccc2Cl)C1
InChIInChI=1S/C15H24ClN3O/c16-15-4-6-18-10-14(15)9-17-5-2-8-19-7-1-3-13(11-19)12-20/h4,6,10,13,17,20H,1-3,5,7-9,11-12H2
InChIKeyBQBJBSDVUAFBNU-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.92
Rot. Bonds7

About [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol

[1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol (PubChem CID 131908054) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol
PubChem CID131908054
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name[1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCNCc2cnccc2Cl)C1
InChIInChI=1S/C15H24ClN3O/c16-15-4-6-18-10-14(15)9-17-5-2-8-19-7-1-3-13(11-19)12-20/h4,6,10,13,17,20H,1-3,5,7-9,11-12H2
InChIKeyBQBJBSDVUAFBNU-UHFFFAOYSA-N
XLogP1.92
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
CID 131893362
[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
CID 131919569
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
[1-[3-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propyl]piperidin-3-yl]methanol
CID 131889121
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol (CID 131908054) is [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol is OCC1CCCN(CCCNCc2cnccc2Cl)C1.
What is the InChIKey of [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol?
The InChIKey is BQBJBSDVUAFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c16-15-4-6-18-10-14(15)9-17-5-2-8-19-7-1-3-13(11-19)12-20/h4,6,10,13,17,20H,1-3,5,7-9,11-12H2.
What are the key properties of [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol?
[1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol has a molecular weight of 297.83 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(4-chloro-3-pyridinyl)methylamino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).