[(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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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).