(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride

C18H25ClF2N2O — CID 171361863

IUPAC(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(F)(F)C2)cc1C1CCNCC1.Cl
InChIInChI=1S/C18H24F2N2O.ClH/c1-13-3-4-15(11-16(13)14-5-8-21-9-6-14)17(23)22-10-2-7-18(19,20)12-22;/h3-4,11,14,21H,2,5-10,12H2,1H3;1H
InChIKeySQYKJYSNQNIMKI-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.76
Rot. Bonds2

About (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride

(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride (PubChem CID 171361863) has the molecular formula C18H25ClF2N2O and a molecular weight of 358.86 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
PubChem CID171361863
Molecular FormulaC18H25ClF2N2O
Molecular Weight358.86 g/mol
Exact Mass358.16
IUPAC Name(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(F)(F)C2)cc1C1CCNCC1.Cl
InChIInChI=1S/C18H24F2N2O.ClH/c1-13-3-4-15(11-16(13)14-5-8-21-9-6-14)17(23)22-10-2-7-18(19,20)12-22;/h3-4,11,14,21H,2,5-10,12H2,1H3;1H
InChIKeySQYKJYSNQNIMKI-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361860
(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361907
(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361858
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
3-cyclohexyl-5-(3,3-difluoropiperidine-1-carbonyl)benzoic acid
CID 171383245
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 171361801
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361833
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436193
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 169488532

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride (CID 171361863) is (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCCC(F)(F)C2)cc1C1CCNCC1.Cl.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
The InChIKey is SQYKJYSNQNIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O.ClH/c1-13-3-4-15(11-16(13)14-5-8-21-9-6-14)17(23)22-10-2-7-18(19,20)12-22;/h3-4,11,14,21H,2,5-10,12H2,1H3;1H.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride has a molecular weight of 358.86 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 171361863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).