2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one

C19H29NO — CID 13249816

IUPAC2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCCC(CC)(CC)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-4-19(5-2,6-3)18(21)20-14-12-17(13-15-20)16-10-8-7-9-11-16/h7-11,17H,4-6,12-15H2,1-3H3
InChIKeyZKWQYZXBFYPKGQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.61
Rot. Bonds5

About 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one

2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 13249816) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
PubChem CID13249816
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCCC(CC)(CC)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-4-19(5-2,6-3)18(21)20-14-12-17(13-15-20)16-10-8-7-9-11-16/h7-11,17H,4-6,12-15H2,1-3H3
InChIKeyZKWQYZXBFYPKGQ-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(4-phenylpiperidin-1-yl)but-3-en-1-one
CID 139215922
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
1-[(2S,4R)-2-benzoyl-4-phenylpiperidin-1-yl]-2,2-diethylbutan-1-one
CID 131862864
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one (CID 13249816) is 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one is CCC(CC)(CC)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is ZKWQYZXBFYPKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-19(5-2,6-3)18(21)20-14-12-17(13-15-20)16-10-8-7-9-11-16/h7-11,17H,4-6,12-15H2,1-3H3.
What are the key properties of 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 13249816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).