1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol

C22H30N2O — CID 67312540

IUPAC1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol
SMILESCCCC(NC1CCN(Cc2ccccc2)CC1O)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-2-9-20(19-12-7-4-8-13-19)23-21-14-15-24(17-22(21)25)16-18-10-5-3-6-11-18/h3-8,10-13,20-23,25H,2,9,14-17H2,1H3
InChIKeyAFHDGISMZWNEDI-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.75
Rot. Bonds7

About 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol

1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol (PubChem CID 67312540) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol
PubChem CID67312540
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol
SMILESCCCC(NC1CCN(Cc2ccccc2)CC1O)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-2-9-20(19-12-7-4-8-13-19)23-21-14-15-24(17-22(21)25)16-18-10-5-3-6-11-18/h3-8,10-13,20-23,25H,2,9,14-17H2,1H3
InChIKeyAFHDGISMZWNEDI-UHFFFAOYSA-N
XLogP3.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752179
N-(1-phenylbutyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195150
(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
CID 67312130
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-ethylpyrrolidine
CID 12648208
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol?
The IUPAC name of 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol (CID 67312540) is 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol?
The canonical SMILES for 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol is CCCC(NC1CCN(Cc2ccccc2)CC1O)c1ccccc1.
What is the InChIKey of 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol?
The InChIKey is AFHDGISMZWNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-9-20(19-12-7-4-8-13-19)23-21-14-15-24(17-22(21)25)16-18-10-5-3-6-11-18/h3-8,10-13,20-23,25H,2,9,14-17H2,1H3.
What are the key properties of 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol?
1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol has a molecular weight of 338.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol is sourced from PubChem (CID 67312540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).