2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol

C17H26N2O — CID 66565068

IUPAC2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
SMILESOCCN(C1CC1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c20-12-11-19(16-8-9-16)17-7-4-10-18(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2
InChIKeyLDSRLKQLUBAIQE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol

2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol (PubChem CID 66565068) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
PubChem CID66565068
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
SMILESOCCN(C1CC1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c20-12-11-19(16-8-9-16)17-7-4-10-18(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2
InChIKeyLDSRLKQLUBAIQE-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol
CID 66566982
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol (CID 66565068) is 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol is OCCN(C1CC1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol?
The InChIKey is LDSRLKQLUBAIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-12-11-19(16-8-9-16)17-7-4-10-18(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2.
What are the key properties of 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol?
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol has a molecular weight of 274.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 66565068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).