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

C16H22BrClN2O — CID 119299881

IUPAC[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O.ClH/c17-14-5-3-12(4-6-14)15-2-1-11-19(15)16(20)13-7-9-18-10-8-13;/h3-6,13,15,18H,1-2,7-11H2;1H
InChIKeySECSFRGNLAIZHK-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.53
Rot. Bonds2

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

[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119299881) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119299881
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O.ClH/c17-14-5-3-12(4-6-14)15-2-1-11-19(15)16(20)13-7-9-18-10-8-13;/h3-6,13,15,18H,1-2,7-11H2;1H
InChIKeySECSFRGNLAIZHK-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119299890
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765016
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119288433
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 84515128
[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119330882

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119299881) is [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(C1CCNCC1)N1CCCC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is SECSFRGNLAIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-14-5-3-12(4-6-14)15-2-1-11-19(15)16(20)13-7-9-18-10-8-13;/h3-6,13,15,18H,1-2,7-11H2;1H.
What are the key properties of [2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.53, 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-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119299881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).