phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone

C20H22N2O — CID 15402478

IUPACphenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
SMILESC[C@H](N=C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-16(17-8-4-2-5-9-17)21-19-12-14-22(15-13-19)20(23)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m0/s1
InChIKeyJIOLXUGXKSLWRR-INIZCTEOSA-N
MW306.41 g/mol
LogP4.12
Rot. Bonds3

About phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone

phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone (PubChem CID 15402478) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
PubChem CID15402478
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Namephenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
SMILESC[C@H](N=C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-16(17-8-4-2-5-9-17)21-19-12-14-22(15-13-19)20(23)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m0/s1
InChIKeyJIOLXUGXKSLWRR-INIZCTEOSA-N
XLogP4.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 24707311
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
(2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N,N-dimethyl-2-phenylacetamide
CID 8597219
2-(1-benzoylpiperidin-4-ylidene)acetonitrile
CID 117063993
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
3-[4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]benzoic acid
CID 2050859
[(4E)-4-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]azepan-1-yl]-phenylmethanone
CID 87930845

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone (CID 15402478) is phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone is C[C@H](N=C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone?
The InChIKey is JIOLXUGXKSLWRR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16(17-8-4-2-5-9-17)21-19-12-14-22(15-13-19)20(23)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m0/s1.
What are the key properties of phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone?
phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone is sourced from PubChem (CID 15402478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).