3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride

C20H34ClNO — CID 24761161

IUPAC3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(CCN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C20H33NO.ClH/c1-2-3-4-9-14-20(22,19-12-7-5-8-13-19)15-18-21-16-10-6-11-17-21;/h5,7-8,12-13,22H,2-4,6,9-11,14-18H2,1H3;1H
InChIKeyWADYCCXPVXOOGN-UHFFFAOYSA-N
MW339.95 g/mol
LogP5.14
Rot. Bonds9

About 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride

3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride (PubChem CID 24761161) has the molecular formula C20H34ClNO and a molecular weight of 339.95 g/mol. Its IUPAC name is 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride
PubChem CID24761161
Molecular FormulaC20H34ClNO
Molecular Weight339.95 g/mol
Exact Mass339.23
IUPAC Name3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(CCN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C20H33NO.ClH/c1-2-3-4-9-14-20(22,19-12-7-5-8-13-19)15-18-21-16-10-6-11-17-21;/h5,7-8,12-13,22H,2-4,6,9-11,14-18H2,1H3;1H
InChIKeyWADYCCXPVXOOGN-UHFFFAOYSA-N
XLogP5.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.95
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride?
The IUPAC name of 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride (CID 24761161) is 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride.
What is the SMILES notation for 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride?
The canonical SMILES for 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride is CCCCCCC(O)(CCN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride?
The InChIKey is WADYCCXPVXOOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO.ClH/c1-2-3-4-9-14-20(22,19-12-7-5-8-13-19)15-18-21-16-10-6-11-17-21;/h5,7-8,12-13,22H,2-4,6,9-11,14-18H2,1H3;1H.
What are the key properties of 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride?
3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride has a molecular weight of 339.95 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-piperidin-1-ylnonan-3-ol;hydrochloride is sourced from PubChem (CID 24761161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).