3-(4-anilinobutyl)-1-benzylpiperidin-4-ol

C22H30N2O — CID 91699509

IUPAC3-(4-anilinobutyl)-1-benzylpiperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)CC1CCCCNc1ccccc1
InChIInChI=1S/C22H30N2O/c25-22-14-16-24(17-19-9-3-1-4-10-19)18-20(22)11-7-8-15-23-21-12-5-2-6-13-21/h1-6,9-10,12-13,20,22-23,25H,7-8,11,14-18H2
InChIKeyDOPHGUMLRCQCFV-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.15
Rot. Bonds8

About 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol

3-(4-anilinobutyl)-1-benzylpiperidin-4-ol (PubChem CID 91699509) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol.

Molecular Properties

Compound Name3-(4-anilinobutyl)-1-benzylpiperidin-4-ol
PubChem CID91699509
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-(4-anilinobutyl)-1-benzylpiperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)CC1CCCCNc1ccccc1
InChIInChI=1S/C22H30N2O/c25-22-14-16-24(17-19-9-3-1-4-10-19)18-20(22)11-7-8-15-23-21-12-5-2-6-13-21/h1-6,9-10,12-13,20,22-23,25H,7-8,11,14-18H2
InChIKeyDOPHGUMLRCQCFV-UHFFFAOYSA-N
XLogP4.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
N-[3-(4-chloropiperidin-1-yl)propyl]aniline
CID 70511270
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270

Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol?
The IUPAC name of 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol (CID 91699509) is 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol.
What is the SMILES notation for 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol?
The canonical SMILES for 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol is OC1CCN(Cc2ccccc2)CC1CCCCNc1ccccc1.
What is the InChIKey of 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol?
The InChIKey is DOPHGUMLRCQCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-22-14-16-24(17-19-9-3-1-4-10-19)18-20(22)11-7-8-15-23-21-12-5-2-6-13-21/h1-6,9-10,12-13,20,22-23,25H,7-8,11,14-18H2.
What are the key properties of 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol?
3-(4-anilinobutyl)-1-benzylpiperidin-4-ol has a molecular weight of 338.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinobutyl)-1-benzylpiperidin-4-ol is sourced from PubChem (CID 91699509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).