(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H20BrClN2O — CID 81294449

IUPAC(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20BrClN2O/c17-13-4-3-12(10-14(13)18)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2
InChIKeyQTGYEADQRWULDK-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.71
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 81294449) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID81294449
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20BrClN2O/c17-13-4-3-12(10-14(13)18)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2
InChIKeyQTGYEADQRWULDK-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-bromo-2-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999531
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
(3-fluoro-4-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999600
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(3-bromo-5-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999382
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 81294449) is (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(Br)c(Cl)c1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is QTGYEADQRWULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c17-13-4-3-12(10-14(13)18)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2.
What are the key properties of (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 371.71 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 81294449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).