1-(2-piperidin-1-ylphenyl)butan-1-one

C15H21NO — CID 10489705

IUPAC1-(2-piperidin-1-ylphenyl)butan-1-one
SMILESCCCC(=O)c1ccccc1N1CCCCC1
InChIInChI=1S/C15H21NO/c1-2-8-15(17)13-9-4-5-10-14(13)16-11-6-3-7-12-16/h4-5,9-10H,2-3,6-8,11-12H2,1H3
InChIKeyVMGOAKSKJLNGSO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-piperidin-1-ylphenyl)butan-1-one

1-(2-piperidin-1-ylphenyl)butan-1-one (PubChem CID 10489705) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-piperidin-1-ylphenyl)butan-1-one
PubChem CID10489705
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-piperidin-1-ylphenyl)butan-1-one
SMILESCCCC(=O)c1ccccc1N1CCCCC1
InChIInChI=1S/C15H21NO/c1-2-8-15(17)13-9-4-5-10-14(13)16-11-6-3-7-12-16/h4-5,9-10H,2-3,6-8,11-12H2,1H3
InChIKeyVMGOAKSKJLNGSO-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-piperidin-1-ylpyren-1-yl)butan-1-one
CID 102133484
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
CID 174478124
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-one
CID 112677314
1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]propan-1-one
CID 107223361
1-(6-pyrrolidin-1-yl-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one
CID 168513808
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
2-(4,4-diethylpiperidin-1-yl)benzoic acid
CID 63513477
butanamide;1-phenylpiperidine
CID 174698826
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
CID 115994624

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylphenyl)butan-1-one?
The IUPAC name of 1-(2-piperidin-1-ylphenyl)butan-1-one (CID 10489705) is 1-(2-piperidin-1-ylphenyl)butan-1-one.
What is the SMILES notation for 1-(2-piperidin-1-ylphenyl)butan-1-one?
The canonical SMILES for 1-(2-piperidin-1-ylphenyl)butan-1-one is CCCC(=O)c1ccccc1N1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylphenyl)butan-1-one?
The InChIKey is VMGOAKSKJLNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-8-15(17)13-9-4-5-10-14(13)16-11-6-3-7-12-16/h4-5,9-10H,2-3,6-8,11-12H2,1H3.
What are the key properties of 1-(2-piperidin-1-ylphenyl)butan-1-one?
1-(2-piperidin-1-ylphenyl)butan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylphenyl)butan-1-one is sourced from PubChem (CID 10489705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).