phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol

C22H29NO — CID 15212883

IUPACphenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol
SMILESOC(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H29NO/c24-22(20-12-5-2-6-13-20)21-14-17-23(18-15-21)16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21-22,24H,7-8,11,14-18H2
InChIKeyDETLWHLIRIGSLM-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.45
Rot. Bonds7

About phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol

phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol (PubChem CID 15212883) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol
PubChem CID15212883
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Namephenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol
SMILESOC(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H29NO/c24-22(20-12-5-2-6-13-20)21-14-17-23(18-15-21)16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21-22,24H,7-8,11,14-18H2
InChIKeyDETLWHLIRIGSLM-UHFFFAOYSA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.45
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 phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
The IUPAC name of phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol (CID 15212883) is phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol.
What is the SMILES notation for phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
The canonical SMILES for phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol is OC(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
The InChIKey is DETLWHLIRIGSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c24-22(20-12-5-2-6-13-20)21-14-17-23(18-15-21)16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21-22,24H,7-8,11,14-18H2.
What are the key properties of phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol has a molecular weight of 323.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanol is sourced from PubChem (CID 15212883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).