3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol

C15H24N2O — CID 83977147

IUPAC3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
SMILESNCC(CO)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c16-10-15(12-18)14-6-8-17(9-7-14)11-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12,16H2
InChIKeyDIBGOMDJXHOXKW-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.47
Rot. Bonds5

About 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol

3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol (PubChem CID 83977147) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
PubChem CID83977147
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
SMILESNCC(CO)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c16-10-15(12-18)14-6-8-17(9-7-14)11-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12,16H2
InChIKeyDIBGOMDJXHOXKW-UHFFFAOYSA-N
XLogP1.47
TPSA49.49 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol
CID 83977158
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate
CID 83826140
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
CID 97169784
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-amino-2-(1-benzylazetidin-3-yl)ethanol
CID 83908918
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol (CID 83977147) is 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol is NCC(CO)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol?
The InChIKey is DIBGOMDJXHOXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-10-15(12-18)14-6-8-17(9-7-14)11-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12,16H2.
What are the key properties of 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol?
3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 83977147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).