1-(4-piperidin-1-ylphenyl)butan-2-ol

C15H23NO — CID 82160958

IUPAC1-(4-piperidin-1-ylphenyl)butan-2-ol
SMILESCCC(O)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-2-15(17)12-13-6-8-14(9-7-13)16-10-4-3-5-11-16/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeyZSUFMPGQFIOQOV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-piperidin-1-ylphenyl)butan-2-ol

1-(4-piperidin-1-ylphenyl)butan-2-ol (PubChem CID 82160958) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)butan-2-ol
PubChem CID82160958
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-piperidin-1-ylphenyl)butan-2-ol
SMILESCCC(O)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-2-15(17)12-13-6-8-14(9-7-13)16-10-4-3-5-11-16/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeyZSUFMPGQFIOQOV-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 131872358
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
ethyl 3-oxo-2-[(4-piperidin-1-ylphenyl)methyl]butanoate
CID 23009575
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)butan-2-ol?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)butan-2-ol (CID 82160958) is 1-(4-piperidin-1-ylphenyl)butan-2-ol.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)butan-2-ol?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)butan-2-ol is CCC(O)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)butan-2-ol?
The InChIKey is ZSUFMPGQFIOQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-15(17)12-13-6-8-14(9-7-13)16-10-4-3-5-11-16/h6-9,15,17H,2-5,10-12H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylphenyl)butan-2-ol?
1-(4-piperidin-1-ylphenyl)butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)butan-2-ol is sourced from PubChem (CID 82160958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).