3-[4-(4-benzylpiperidin-1-yl)butyl]phenol

C22H29NO — CID 57143217

IUPAC3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
SMILESOc1cccc(CCCCN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29NO/c24-22-11-6-10-20(18-22)9-4-5-14-23-15-12-21(13-16-23)17-19-7-2-1-3-8-19/h1-3,6-8,10-11,18,21,24H,4-5,9,12-17H2
InChIKeyYEHIWHYPEZJUGF-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.67
Rot. Bonds7

About 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol

3-[4-(4-benzylpiperidin-1-yl)butyl]phenol (PubChem CID 57143217) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
PubChem CID57143217
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
SMILESOc1cccc(CCCCN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29NO/c24-22-11-6-10-20(18-22)9-4-5-14-23-15-12-21(13-16-23)17-19-7-2-1-3-8-19/h1-3,6-8,10-11,18,21,24H,4-5,9,12-17H2
InChIKeyYEHIWHYPEZJUGF-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol?
The IUPAC name of 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol (CID 57143217) is 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol.
What is the SMILES notation for 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol?
The canonical SMILES for 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol is Oc1cccc(CCCCN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol?
The InChIKey is YEHIWHYPEZJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c24-22-11-6-10-20(18-22)9-4-5-14-23-15-12-21(13-16-23)17-19-7-2-1-3-8-19/h1-3,6-8,10-11,18,21,24H,4-5,9,12-17H2.
What are the key properties of 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol?
3-[4-(4-benzylpiperidin-1-yl)butyl]phenol has a molecular weight of 323.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidin-1-yl)butyl]phenol is sourced from PubChem (CID 57143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).