4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one

C15H20BrNO — CID 82135319

IUPAC4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
SMILESCC(=O)CC(c1cccc(Br)c1)N1CCCCC1
InChIInChI=1S/C15H20BrNO/c1-12(18)10-15(17-8-3-2-4-9-17)13-6-5-7-14(16)11-13/h5-7,11,15H,2-4,8-10H2,1H3
InChIKeyBZZQAXKLRFFHAS-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.96
Rot. Bonds4

About 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one

4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one (PubChem CID 82135319) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
PubChem CID82135319
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
SMILESCC(=O)CC(c1cccc(Br)c1)N1CCCCC1
InChIInChI=1S/C15H20BrNO/c1-12(18)10-15(17-8-3-2-4-9-17)13-6-5-7-14(16)11-13/h5-7,11,15H,2-4,8-10H2,1H3
InChIKeyBZZQAXKLRFFHAS-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
1-[1-(3-bromophenyl)-2-chloroethyl]piperidine
CID 82094794
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
1-[(1R)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285967
1-[(1S)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273339
1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
CID 71395671
3-(azepan-1-yl)-3-(4-bromo-3-methylphenyl)propanoic acid
CID 66480513
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274
1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
CID 3908536
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one?
The IUPAC name of 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one (CID 82135319) is 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one?
The canonical SMILES for 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one is CC(=O)CC(c1cccc(Br)c1)N1CCCCC1.
What is the InChIKey of 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one?
The InChIKey is BZZQAXKLRFFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-12(18)10-15(17-8-3-2-4-9-17)13-6-5-7-14(16)11-13/h5-7,11,15H,2-4,8-10H2,1H3.
What are the key properties of 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one?
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one has a molecular weight of 310.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 82135319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).