2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol

C15H24N2O — CID 43499736

IUPAC2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-13(12-18)16-15-7-9-17(10-8-15)11-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3
InChIKeyAGSIQMISWUEVJD-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol

2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 43499736) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
PubChem CID43499736
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-13(12-18)16-15-7-9-17(10-8-15)11-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3
InChIKeyAGSIQMISWUEVJD-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
CID 97169784
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol (CID 43499736) is 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol is CC(CO)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is AGSIQMISWUEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(12-18)16-15-7-9-17(10-8-15)11-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol?
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 43499736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).