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

C18H28N2O — CID 96552834

IUPAC2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
SMILESOCCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C18H28N2O/c21-12-11-20(18-8-9-18)15-17-7-4-10-19(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/t17-/m1/s1
InChIKeyCXELYOQSQLGQQG-QGZVFWFLSA-N
MW288.43 g/mol
LogP2.36
Rot. Bonds7

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

2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol (PubChem CID 96552834) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
PubChem CID96552834
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
SMILESOCCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C18H28N2O/c21-12-11-20(18-8-9-18)15-17-7-4-10-19(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/t17-/m1/s1
InChIKeyCXELYOQSQLGQQG-QGZVFWFLSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
CID 96552859
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012
2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
CID 66565065
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-chloro-N-cyclopropylacetamide
CID 96553005
benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552079
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol (CID 96552834) is 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol is OCCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1.
What is the InChIKey of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol?
The InChIKey is CXELYOQSQLGQQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O/c21-12-11-20(18-8-9-18)15-17-7-4-10-19(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/t17-/m1/s1.
What are the key properties of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol?
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol has a molecular weight of 288.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 96552834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).