4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one

C19H29NO — CID 54171344

IUPAC4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one
SMILESCCCCC1CCCCN1CCCC(=O)c1ccccc1
InChIInChI=1S/C19H29NO/c1-2-3-12-18-13-7-8-15-20(18)16-9-14-19(21)17-10-5-4-6-11-17/h4-6,10-11,18H,2-3,7-9,12-16H2,1H3
InChIKeyOVGJZKXCCRSAEJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.69
Rot. Bonds8

About 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one

4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one (PubChem CID 54171344) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one
PubChem CID54171344
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one
SMILESCCCCC1CCCCN1CCCC(=O)c1ccccc1
InChIInChI=1S/C19H29NO/c1-2-3-12-18-13-7-8-15-20(18)16-9-14-19(21)17-10-5-4-6-11-17/h4-6,10-11,18H,2-3,7-9,12-16H2,1H3
InChIKeyOVGJZKXCCRSAEJ-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
2-butyl-1-hexylpiperidine
CID 171569565
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
2-(1-propylpiperidin-2-yl)ethyl benzoate
CID 3060654
1-(4-bromophenyl)-4-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 54885784
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-pentyl-2-propylpiperidine
CID 54429991
6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
CID 159649136
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
1-(3-bromophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62613958
ethane;1-phenylpentan-1-one
CID 143728184
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343

Frequently Asked Questions

What is the IUPAC name of 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one (CID 54171344) is 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one is CCCCC1CCCCN1CCCC(=O)c1ccccc1.
What is the InChIKey of 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one?
The InChIKey is OVGJZKXCCRSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-12-18-13-7-8-15-20(18)16-9-14-19(21)17-10-5-4-6-11-17/h4-6,10-11,18H,2-3,7-9,12-16H2,1H3.
What are the key properties of 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one?
4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 54171344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).