1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone

C15H21ClN2O — CID 82535410

IUPAC1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H21ClN2O/c1-11(19)12-8-13(16)10-15(9-12)18(3)14-4-6-17(2)7-5-14/h8-10,14H,4-7H2,1-3H3
InChIKeyLXHBOWWZXJHSMF-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.07
Rot. Bonds3

About 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone

1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone (PubChem CID 82535410) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone
PubChem CID82535410
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H21ClN2O/c1-11(19)12-8-13(16)10-15(9-12)18(3)14-4-6-17(2)7-5-14/h8-10,14H,4-7H2,1-3H3
InChIKeyLXHBOWWZXJHSMF-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone (CID 82535410) is 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone is CC(=O)c1cc(Cl)cc(N(C)C2CCN(C)CC2)c1.
What is the InChIKey of 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
The InChIKey is LXHBOWWZXJHSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(19)12-8-13(16)10-15(9-12)18(3)14-4-6-17(2)7-5-14/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone has a molecular weight of 280.80 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 82535410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).