(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone

C15H20BrClN2O — CID 107939965

IUPAC(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C15H20BrClN2O/c1-18-5-2-11-3-6-19(7-4-11)15(20)12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3
InChIKeySEUCOJHYZKKVFV-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.56
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone

(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 107939965) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
PubChem CID107939965
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C15H20BrClN2O/c1-18-5-2-11-3-6-19(7-4-11)15(20)12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3
InChIKeySEUCOJHYZKKVFV-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107973305
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887574
(3-bromo-4-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 81476430
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
(5-chloro-2-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 82884011
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone (CID 107939965) is (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone is CNCCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is SEUCOJHYZKKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-18-5-2-11-3-6-19(7-4-11)15(20)12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 359.70 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 107939965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).