(4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone

C19H20BrNO — CID 984595

IUPAC(4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20BrNO/c20-18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyDVZAJQMGDDQZEQ-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.54
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone

(4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone (PubChem CID 984595) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone
PubChem CID984595
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name(4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20BrNO/c20-18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyDVZAJQMGDDQZEQ-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
(4'-((Allyl(Methyl)Amino)Methyl)-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone
CID 445986
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
4-bromo-N,N-dimethylbenzamide
CID 140389
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892
[4-[4-[1-(4-Bromophenyl)vinyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
CID 511309
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone (CID 984595) is (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone?
The InChIKey is DVZAJQMGDDQZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c20-18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone?
(4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone has a molecular weight of 358.28 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 984595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).