1-(4-benzhydrylidenepiperidin-1-yl)ethanone

C20H21NO — CID 524053

IUPAC1-(4-benzhydrylidenepiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H21NO/c1-16(22)21-14-12-19(13-15-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyKVXMZFYFJCSLSB-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.13
Rot. Bonds2

About 1-(4-benzhydrylidenepiperidin-1-yl)ethanone

1-(4-benzhydrylidenepiperidin-1-yl)ethanone (PubChem CID 524053) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-benzhydrylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzhydrylidenepiperidin-1-yl)ethanone
PubChem CID524053
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(4-benzhydrylidenepiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H21NO/c1-16(22)21-14-12-19(13-15-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyKVXMZFYFJCSLSB-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2913
Diphemanil methyl sulfate
CID 6126
Fenpiprane
CID 197785
Diphemanil
CID 6127
AI3-37157
CID 760213
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
Lobelane
CID 10470490
AI3-37156
CID 897567
Piperidine, 4-(diphenylmethylene)-1-methyl-
CID 95734
Piperidine, 1-(3,3-diphenylallyl)-
CID 202718
Piperidine, N-acetyl-4-benzyl-
CID 299608

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)ethanone (CID 524053) is 1-(4-benzhydrylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzhydrylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzhydrylidenepiperidin-1-yl)ethanone is CC(=O)N1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylidenepiperidin-1-yl)ethanone?
The InChIKey is KVXMZFYFJCSLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-16(22)21-14-12-19(13-15-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3.
What are the key properties of 1-(4-benzhydrylidenepiperidin-1-yl)ethanone?
1-(4-benzhydrylidenepiperidin-1-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 524053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).