(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone

C12H12BrCl2NO — CID 50849504

IUPAC(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(Br)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C12H12BrCl2NO/c13-11-9(14)6-8(7-10(11)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5H2
InChIKeyMYUWOAVFMUKJFW-UHFFFAOYSA-N
MW337.04 g/mol
LogP4.38
Rot. Bonds1

About (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone

(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone (PubChem CID 50849504) has the molecular formula C12H12BrCl2NO and a molecular weight of 337.04 g/mol. Its IUPAC name is (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
PubChem CID50849504
Molecular FormulaC12H12BrCl2NO
Molecular Weight337.04 g/mol
Exact Mass334.95
IUPAC Name(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(Br)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C12H12BrCl2NO/c13-11-9(14)6-8(7-10(11)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5H2
InChIKeyMYUWOAVFMUKJFW-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.04
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
CID 156548712
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
azepan-1-yl-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 9401585
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone (CID 50849504) is (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone is O=C(c1cc(Cl)c(Br)c(Cl)c1)N1CCCCC1.
What is the InChIKey of (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone?
The InChIKey is MYUWOAVFMUKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO/c13-11-9(14)6-8(7-10(11)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5H2.
What are the key properties of (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone?
(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone has a molecular weight of 337.04 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 50849504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).