3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride

C15H24ClNO — CID 3048981

IUPAC3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCC(c1ccccc1)C(CO)N1CCCCC1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-13(14-8-4-2-5-9-14)15(12-17)16-10-6-3-7-11-16;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H
InChIKeyZOBRYNKHQCTTGF-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.06
Rot. Bonds4

About 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride

3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride (PubChem CID 3048981) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride
PubChem CID3048981
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCC(c1ccccc1)C(CO)N1CCCCC1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-13(14-8-4-2-5-9-14)15(12-17)16-10-6-3-7-11-16;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H
InChIKeyZOBRYNKHQCTTGF-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride (CID 3048981) is 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride is CC(c1ccccc1)C(CO)N1CCCCC1.Cl.
What is the InChIKey of 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is ZOBRYNKHQCTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-13(14-8-4-2-5-9-14)15(12-17)16-10-6-3-7-11-16;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H.
What are the key properties of 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride?
3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-piperidin-1-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 3048981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).