1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol

C15H24N2O — CID 83993461

IUPAC1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCc2ccccc2)CN(C)C1
InChIInChI=1S/C15H24N2O/c1-12(18)14-8-15(11-17(2)10-14)16-9-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3
InChIKeyZFZVDOLPCORHLG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.48
Rot. Bonds4

About 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol

1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol (PubChem CID 83993461) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
PubChem CID83993461
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCc2ccccc2)CN(C)C1
InChIInChI=1S/C15H24N2O/c1-12(18)14-8-15(11-17(2)10-14)16-9-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3
InChIKeyZFZVDOLPCORHLG-UHFFFAOYSA-N
XLogP1.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol
CID 83993466
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
1-[5-(ethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83990165
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993954

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol?
The IUPAC name of 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol (CID 83993461) is 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol.
What is the SMILES notation for 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol?
The canonical SMILES for 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol is CC(O)C1CC(NCc2ccccc2)CN(C)C1.
What is the InChIKey of 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol?
The InChIKey is ZFZVDOLPCORHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)14-8-15(11-17(2)10-14)16-9-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3.
What are the key properties of 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol?
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol is sourced from PubChem (CID 83993461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).