(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone

C18H24F2N2O — CID 165436193

IUPAC(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(F)(F)CC2)cc(C2CCNCC2)c1
InChIInChI=1S/C18H24F2N2O/c1-13-10-15(14-2-6-21-7-3-14)12-16(11-13)17(23)22-8-4-18(19,20)5-9-22/h10-12,14,21H,2-9H2,1H3
InChIKeyNGAPYHWEPLSOMN-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.33
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone

(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone (PubChem CID 165436193) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
PubChem CID165436193
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(F)(F)CC2)cc(C2CCNCC2)c1
InChIInChI=1S/C18H24F2N2O/c1-13-10-15(14-2-6-21-7-3-14)12-16(11-13)17(23)22-8-4-18(19,20)5-9-22/h10-12,14,21H,2-9H2,1H3
InChIKeyNGAPYHWEPLSOMN-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxypiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436191
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
CID 165436163
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436162
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436136
(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361907
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
3-methyl-N-(1-methylpiperidin-4-yl)-5-piperidin-4-ylbenzamide
CID 165436175
(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654394
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361863

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone (CID 165436193) is (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone is Cc1cc(C(=O)N2CCC(F)(F)CC2)cc(C2CCNCC2)c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
The InChIKey is NGAPYHWEPLSOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c1-13-10-15(14-2-6-21-7-3-14)12-16(11-13)17(23)22-8-4-18(19,20)5-9-22/h10-12,14,21H,2-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone?
(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone has a molecular weight of 322.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone is sourced from PubChem (CID 165436193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).