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

C16H26N2O — CID 96554125

IUPAC2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1ccccc1)C[C@H]1CCCCN1CCO
InChIInChI=1S/C16H26N2O/c1-17(13-15-7-3-2-4-8-15)14-16-9-5-6-10-18(16)11-12-19/h2-4,7-8,16,19H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyMLAUWXCQBWHGLM-MRXNPFEDSA-N
MW262.40 g/mol
LogP1.97
Rot. Bonds6

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

2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 96554125) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID96554125
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1ccccc1)C[C@H]1CCCCN1CCO
InChIInChI=1S/C16H26N2O/c1-17(13-15-7-3-2-4-8-15)14-16-9-5-6-10-18(16)11-12-19/h2-4,7-8,16,19H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyMLAUWXCQBWHGLM-MRXNPFEDSA-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

2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
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
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
CID 96554182
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol (CID 96554125) is 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol is CN(Cc1ccccc1)C[C@H]1CCCCN1CCO.
What is the InChIKey of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is MLAUWXCQBWHGLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17(13-15-7-3-2-4-8-15)14-16-9-5-6-10-18(16)11-12-19/h2-4,7-8,16,19H,5-6,9-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol?
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]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-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 96554125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).