(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone

C16H22ClFN2O — CID 117044959

IUPAC(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCCCN1C(=O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-11-9-14(17)13(10-15(11)18)16(21)20-8-4-3-5-12(20)6-7-19-2/h9-10,12,19H,3-8H2,1-2H3
InChIKeyRVNRXSIRSURLKP-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.39
Rot. Bonds4

About (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone

(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 117044959) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
PubChem CID117044959
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCCCN1C(=O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-11-9-14(17)13(10-15(11)18)16(21)20-8-4-3-5-12(20)6-7-19-2/h9-10,12,19H,3-8H2,1-2H3
InChIKeyRVNRXSIRSURLKP-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-chloro-5-fluoro-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 117044948
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 79217054
[2-(2-chloroethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 63393444
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone (CID 117044959) is (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone is CNCCC1CCCCN1C(=O)c1cc(F)c(C)cc1Cl.
What is the InChIKey of (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is RVNRXSIRSURLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-11-9-14(17)13(10-15(11)18)16(21)20-8-4-3-5-12(20)6-7-19-2/h9-10,12,19H,3-8H2,1-2H3.
What are the key properties of (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 312.82 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 117044959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).