1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone

C19H30N2O2 — CID 111121802

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(CCO)CCc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-16-12-17(2)14-21(13-16)19(23)15-20(10-11-22)9-8-18-6-4-3-5-7-18/h3-7,16-17,22H,8-15H2,1-2H3
InChIKeyTVSYLDYSZCACGG-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.03
Rot. Bonds7

About 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone (PubChem CID 111121802) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
PubChem CID111121802
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(CCO)CCc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-16-12-17(2)14-21(13-16)19(23)15-20(10-11-22)9-8-18-6-4-3-5-7-18/h3-7,16-17,22H,8-15H2,1-2H3
InChIKeyTVSYLDYSZCACGG-UHFFFAOYSA-N
XLogP2.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117056
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]ethanone
CID 95302093
2-benzylsulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4114779
2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55827974
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120872205
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
CID 86942881
ethyl 1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 56809362
ethyl (3R)-1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 95378613
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone (CID 111121802) is 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone is CC1CC(C)CN(C(=O)CN(CCO)CCc2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone?
The InChIKey is TVSYLDYSZCACGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-12-17(2)14-21(13-16)19(23)15-20(10-11-22)9-8-18-6-4-3-5-7-18/h3-7,16-17,22H,8-15H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone is sourced from PubChem (CID 111121802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).