(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride

C17H23ClF2N2O — CID 171361907

IUPAC(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
SMILESCc1ccc(C2CCNCC2)cc1C(=O)N1CCC(F)(F)C1.Cl
InChIInChI=1S/C17H22F2N2O.ClH/c1-12-2-3-14(13-4-7-20-8-5-13)10-15(12)16(22)21-9-6-17(18,19)11-21;/h2-3,10,13,20H,4-9,11H2,1H3;1H
InChIKeyKBVLNTOXVYKYGB-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.37
Rot. Bonds2

About (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride

(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride (PubChem CID 171361907) has the molecular formula C17H23ClF2N2O and a molecular weight of 344.83 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
PubChem CID171361907
Molecular FormulaC17H23ClF2N2O
Molecular Weight344.83 g/mol
Exact Mass344.15
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
SMILESCc1ccc(C2CCNCC2)cc1C(=O)N1CCC(F)(F)C1.Cl
InChIInChI=1S/C17H22F2N2O.ClH/c1-12-2-3-14(13-4-7-20-8-5-13)10-15(12)16(22)21-9-6-17(18,19)11-21;/h2-3,10,13,20H,4-9,11H2,1H3;1H
InChIKeyKBVLNTOXVYKYGB-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride 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

(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361863
2-methyl-5-piperidin-4-ylbenzamide
CID 175991950
(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436193
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
N,2-dimethyl-5-piperidin-4-ylbenzamide
CID 171361874
3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251719
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
2-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361895
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171361971

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride (CID 171361907) is (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride is Cc1ccc(C2CCNCC2)cc1C(=O)N1CCC(F)(F)C1.Cl.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride?
The InChIKey is KBVLNTOXVYKYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O.ClH/c1-12-2-3-14(13-4-7-20-8-5-13)10-15(12)16(22)21-9-6-17(18,19)11-21;/h2-3,10,13,20H,4-9,11H2,1H3;1H.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride?
(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 171361907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).