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

C16H26N2O — CID 66565042

IUPAC2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
SMILESCCN(CCO)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-18(11-12-19)16-9-6-10-17(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16,19H,2,6,9-14H2,1H3
InChIKeyMHKVOFXLYJGGFP-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.97
Rot. Bonds6

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

2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol (PubChem CID 66565042) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
PubChem CID66565042
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
SMILESCCN(CCO)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-18(11-12-19)16-9-6-10-17(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16,19H,2,6,9-14H2,1H3
InChIKeyMHKVOFXLYJGGFP-UHFFFAOYSA-N
XLogP1.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
1-benzyl-3-methylpiperidine
CID 2794856

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol (CID 66565042) is 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol is CCN(CCO)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol?
The InChIKey is MHKVOFXLYJGGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-18(11-12-19)16-9-6-10-17(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16,19H,2,6,9-14H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol?
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 1.97, 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)-ethylamino]ethanol is sourced from PubChem (CID 66565042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).