1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone

C14H18BrClN2O — CID 103792409

IUPAC1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-8-12(15)2-3-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3
InChIKeyGSGXMEKAEFKMDO-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.20
Rot. Bonds3

About 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 103792409) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID103792409
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-8-12(15)2-3-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3
InChIKeyGSGXMEKAEFKMDO-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N-[(5-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 103792951
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methylamino]piperidine-1-carboxylic acid
CID 22744690

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone (CID 103792409) is 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is GSGXMEKAEFKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-8-12(15)2-3-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3.
What are the key properties of 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 345.67 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 103792409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).