[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol

C15H24ClN3O — CID 164640371

IUPAC[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol
SMILESCc1nc(NCCCN2CCC[C@H](CO)C2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-12-14(16)5-6-15(18-12)17-7-3-9-19-8-2-4-13(10-19)11-20/h5-6,13,20H,2-4,7-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeySEAOFMBZFLKTEI-ZDUSSCGKSA-N
MW297.83 g/mol
LogP2.55
Rot. Bonds6

About [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol

[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol (PubChem CID 164640371) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol
PubChem CID164640371
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol
SMILESCc1nc(NCCCN2CCC[C@H](CO)C2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-12-14(16)5-6-15(18-12)17-7-3-9-19-8-2-4-13(10-19)11-20/h5-6,13,20H,2-4,7-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeySEAOFMBZFLKTEI-ZDUSSCGKSA-N
XLogP2.55
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.55
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

(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 97594114
(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol
CID 99703929
6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyridine-2-carbonitrile
CID 129607671
(2S)-1-[(5-chloro-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)propan-2-ol
CID 129610968
(1-{[(5-Chloro-6-methylpyridin-2-yl)amino]methyl}cyclobutyl)methanol
CID 132418689
[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol
CID 164630346
5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine
CID 164641343
1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone
CID 164641958
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol
CID 91501232
(3R,5S)-1-(6-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpiperidin-4-ol
CID 176223418
1-(6-Chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpiperidin-4-ol
CID 176227033

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol (CID 164640371) is [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol is Cc1nc(NCCCN2CCC[C@H](CO)C2)ccc1Cl.
What is the InChIKey of [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol?
The InChIKey is SEAOFMBZFLKTEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-12-14(16)5-6-15(18-12)17-7-3-9-19-8-2-4-13(10-19)11-20/h5-6,13,20H,2-4,7-11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol?
[(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol has a molecular weight of 297.83 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[3-[(5-chloro-6-methyl-2-pyridinyl)amino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 164640371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).