[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

C16H21BrN2O — CID 119299890

IUPAC[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O/c17-14-7-5-12(6-8-14)15-4-2-10-19(15)16(20)13-3-1-9-18-11-13/h5-8,13,15,18H,1-4,9-11H2
InChIKeyWXZUILJPUWWJIW-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.11
Rot. Bonds2

About [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119299890) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
PubChem CID119299890
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O/c17-14-7-5-12(6-8-14)15-4-2-10-19(15)16(20)13-3-1-9-18-11-13/h5-8,13,15,18H,1-4,9-11H2
InChIKeyWXZUILJPUWWJIW-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881
[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119288433
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765016
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (CID 119299890) is [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCCC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is WXZUILJPUWWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-14-7-5-12(6-8-14)15-4-2-10-19(15)16(20)13-3-1-9-18-11-13/h5-8,13,15,18H,1-4,9-11H2.
What are the key properties of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 337.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119299890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).