2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol

C17H28N2O — CID 66566955

IUPAC2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCCN(Cc1ccccc1)CC1CCCCN1CCO
InChIInChI=1S/C17H28N2O/c1-2-18(14-16-8-4-3-5-9-16)15-17-10-6-7-11-19(17)12-13-20/h3-5,8-9,17,20H,2,6-7,10-15H2,1H3
InChIKeyKVNDXFIABUZSGL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol

2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 66566955) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID66566955
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCCN(Cc1ccccc1)CC1CCCCN1CCO
InChIInChI=1S/C17H28N2O/c1-2-18(14-16-8-4-3-5-9-16)15-17-10-6-7-11-19(17)12-13-20/h3-5,8-9,17,20H,2,6-7,10-15H2,1H3
InChIKeyKVNDXFIABUZSGL-UHFFFAOYSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554333
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
CID 175063335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol (CID 66566955) is 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol is CCN(Cc1ccccc1)CC1CCCCN1CCO.
What is the InChIKey of 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is KVNDXFIABUZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-18(14-16-8-4-3-5-9-16)15-17-10-6-7-11-19(17)12-13-20/h3-5,8-9,17,20H,2,6-7,10-15H2,1H3.
What are the key properties of 2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol?
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 276.42 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-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 66566955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).