[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone

C15H18BrNO — CID 60715919

IUPAC[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrNO/c16-13-6-4-12(5-7-13)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2
InChIKeyOYILMTCSQIZZPV-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.49
Rot. Bonds2

About [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone

[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 60715919) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID60715919
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrNO/c16-13-6-4-12(5-7-13)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2
InChIKeyOYILMTCSQIZZPV-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 112812751
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(4-bromophenyl)cyclopropyl]methanone
CID 55520605
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711
[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 165381996
1-[4-(4-bromophenyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 119128019

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone (CID 60715919) is [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is OYILMTCSQIZZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-13-6-4-12(5-7-13)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2.
What are the key properties of [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone?
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 308.22 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 60715919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).