2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol

C17H26N2O — CID 66566982

IUPAC2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol
SMILESOCCN1CCC[C@@H](N(Cc2ccccc2)C2CC2)C1
InChIInChI=1S/C17H26N2O/c20-12-11-18-10-4-7-17(14-18)19(16-8-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2/t17-/m1/s1
InChIKeyJXRXSROUZBNDSX-QGZVFWFLSA-N
MW274.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol

2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol (PubChem CID 66566982) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol
PubChem CID66566982
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol
SMILESOCCN1CCC[C@@H](N(Cc2ccccc2)C2CC2)C1
InChIInChI=1S/C17H26N2O/c20-12-11-18-10-4-7-17(14-18)19(16-8-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2/t17-/m1/s1
InChIKeyJXRXSROUZBNDSX-QGZVFWFLSA-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)-cyclopropylamino]ethanol
CID 66565068
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]-2-chloroethanone
CID 66567085
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol (CID 66566982) is 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol is OCCN1CCC[C@@H](N(Cc2ccccc2)C2CC2)C1.
What is the InChIKey of 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol?
The InChIKey is JXRXSROUZBNDSX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O/c20-12-11-18-10-4-7-17(14-18)19(16-8-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol?
2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]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-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 66566982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).