3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one

C17H25NO — CID 94273024

IUPAC3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
SMILESCCCc1ccc(C(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-2-6-15-7-9-16(10-8-15)17(19)11-14-18-12-4-3-5-13-18/h7-10H,2-6,11-14H2,1H3
InChIKeySSUFWJCPFVSJAD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.70
Rot. Bonds6

About 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one

3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one (PubChem CID 94273024) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
PubChem CID94273024
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
SMILESCCCc1ccc(C(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-2-6-15-7-9-16(10-8-15)17(19)11-14-18-12-4-3-5-13-18/h7-10H,2-6,11-14H2,1H3
InChIKeySSUFWJCPFVSJAD-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
1-(4-hexylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82050299
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
methyl 1-[3-(4-hexylphenyl)-3-oxopropyl]piperidine-4-carboxylate
CID 23635363
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
1-(4-propylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030887

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one?
The IUPAC name of 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one (CID 94273024) is 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one is CCCc1ccc(C(=O)CCN2CCCCC2)cc1.
What is the InChIKey of 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one?
The InChIKey is SSUFWJCPFVSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-6-15-7-9-16(10-8-15)17(19)11-14-18-12-4-3-5-13-18/h7-10H,2-6,11-14H2,1H3.
What are the key properties of 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one?
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one is sourced from PubChem (CID 94273024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).