2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol

C18H28N2O — CID 83993466

IUPAC2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol
SMILESCN1CC(CC(O)C2CC2)CC(NCc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-20-12-15(10-18(21)16-7-8-16)9-17(13-20)19-11-14-5-3-2-4-6-14/h2-6,15-19,21H,7-13H2,1H3
InChIKeyAWHIATHZUIDCND-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.26
Rot. Bonds6

About 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol

2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol (PubChem CID 83993466) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol
PubChem CID83993466
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol
SMILESCN1CC(CC(O)C2CC2)CC(NCc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-20-12-15(10-18(21)16-7-8-16)9-17(13-20)19-11-14-5-3-2-4-6-14/h2-6,15-19,21H,7-13H2,1H3
InChIKeyAWHIATHZUIDCND-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
CID 83993929
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474
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
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960

Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol?
The IUPAC name of 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol (CID 83993466) is 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol.
What is the SMILES notation for 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol?
The canonical SMILES for 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol is CN1CC(CC(O)C2CC2)CC(NCc2ccccc2)C1.
What is the InChIKey of 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol?
The InChIKey is AWHIATHZUIDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20-12-15(10-18(21)16-7-8-16)9-17(13-20)19-11-14-5-3-2-4-6-14/h2-6,15-19,21H,7-13H2,1H3.
What are the key properties of 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol?
2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol has a molecular weight of 288.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol is sourced from PubChem (CID 83993466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).