(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone

C13H16BrClN2O — CID 62535972

IUPAC(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C13H16BrClN2O/c1-16-10-3-2-6-17(8-10)13(18)11-7-9(14)4-5-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyZETOAWJBAJFYQD-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.93
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 62535972) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID62535972
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C13H16BrClN2O/c1-16-10-3-2-6-17(8-10)13(18)11-7-9(14)4-5-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyZETOAWJBAJFYQD-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241236
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 62535972) is (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is ZETOAWJBAJFYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-16-10-3-2-6-17(8-10)13(18)11-7-9(14)4-5-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 331.64 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 62535972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).