4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one

C22H25NO — CID 59641773

IUPAC4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25NO/c1-18(24)12-15-23-16-13-21(14-17-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKeyMWSNWPZUXGOSQQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.56
Rot. Bonds5

About 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one

4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one (PubChem CID 59641773) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
PubChem CID59641773
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25NO/c1-18(24)12-15-23-16-13-21(14-17-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKeyMWSNWPZUXGOSQQ-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydrylidene-1-ethylpiperidine
CID 19370284
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
CID 58820394
4-(4-benzhydrylidenepiperidin-1-yl)-1-(4-tert-butyl-2-hydroxyphenyl)butan-1-one
CID 20572778
2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
CID 54424990
2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
CID 10138983
2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
CID 54271471
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine
CID 91748313

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one (CID 59641773) is 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one is CC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one?
The InChIKey is MWSNWPZUXGOSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-18(24)12-15-23-16-13-21(14-17-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3.
What are the key properties of 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one?
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one has a molecular weight of 319.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one is sourced from PubChem (CID 59641773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).