3-butyl-2,6-diphenylpiperidin-4-one

C21H25NO — CID 13185090

IUPAC3-butyl-2,6-diphenylpiperidin-4-one
SMILESCCCCC1C(=O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C21H25NO/c1-2-3-14-18-20(23)15-19(16-10-6-4-7-11-16)22-21(18)17-12-8-5-9-13-17/h4-13,18-19,21-22H,2-3,14-15H2,1H3
InChIKeyDKIVBLBJHCAGGG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.84
Rot. Bonds5

About 3-butyl-2,6-diphenylpiperidin-4-one

3-butyl-2,6-diphenylpiperidin-4-one (PubChem CID 13185090) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-butyl-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name3-butyl-2,6-diphenylpiperidin-4-one
PubChem CID13185090
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-butyl-2,6-diphenylpiperidin-4-one
SMILESCCCCC1C(=O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C21H25NO/c1-2-3-14-18-20(23)15-19(16-10-6-4-7-11-16)22-21(18)17-12-8-5-9-13-17/h4-13,18-19,21-22H,2-3,14-15H2,1H3
InChIKeyDKIVBLBJHCAGGG-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,6R)-3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one
CID 139088514
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
CID 7104544
ethyl 2-[(2S,3S,6S)-4-oxo-2,6-diphenylpiperidin-3-yl]acetate
CID 92961114
2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride
CID 71325990
(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7664206
(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
2-ethyl-6-phenyl-1,3-diazinan-4-one
CID 78214180
3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 141481871
4-butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
methyl (2S,3S,6S)-2-methyl-4-oxo-6-phenylpiperidine-3-carboxylate
CID 102519097
N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
CID 3089029

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,6-diphenylpiperidin-4-one?
The IUPAC name of 3-butyl-2,6-diphenylpiperidin-4-one (CID 13185090) is 3-butyl-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 3-butyl-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 3-butyl-2,6-diphenylpiperidin-4-one is CCCCC1C(=O)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 3-butyl-2,6-diphenylpiperidin-4-one?
The InChIKey is DKIVBLBJHCAGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-3-14-18-20(23)15-19(16-10-6-4-7-11-16)22-21(18)17-12-8-5-9-13-17/h4-13,18-19,21-22H,2-3,14-15H2,1H3.
What are the key properties of 3-butyl-2,6-diphenylpiperidin-4-one?
3-butyl-2,6-diphenylpiperidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 13185090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).