1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone

C18H28N2O — CID 43783246

IUPAC1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-14(21)20-12-10-16(11-13-20)19-17(18(2,3)4)15-8-6-5-7-9-15/h5-9,16-17,19H,10-13H2,1-4H3
InChIKeyPZLRBNIICFIQGU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone

1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone (PubChem CID 43783246) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
PubChem CID43783246
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-14(21)20-12-10-16(11-13-20)19-17(18(2,3)4)15-8-6-5-7-9-15/h5-9,16-17,19H,10-13H2,1-4H3
InChIKeyPZLRBNIICFIQGU-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine
CID 80705631
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone (CID 43783246) is 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone?
The InChIKey is PZLRBNIICFIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(21)20-12-10-16(11-13-20)19-17(18(2,3)4)15-8-6-5-7-9-15/h5-9,16-17,19H,10-13H2,1-4H3.
What are the key properties of 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone?
1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone has a molecular weight of 288.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43783246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).