(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

C18H18F2N2O — CID 110102830

IUPAC(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C18H18F2N2O/c19-16-10-15(11-17(20)12-16)18(23)22-7-3-14(4-8-22)9-13-1-5-21-6-2-13/h1-2,5-6,10-12,14H,3-4,7-9H2
InChIKeyXXZYHCGRTFJXLP-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.45
Rot. Bonds3

About (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110102830) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110102830
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C18H18F2N2O/c19-16-10-15(11-17(20)12-16)18(23)22-7-3-14(4-8-22)9-13-1-5-21-6-2-13/h1-2,5-6,10-12,14H,3-4,7-9H2
InChIKeyXXZYHCGRTFJXLP-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
3-methyl-5-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 110102911
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
6-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 110102771
2-morpholin-4-yl-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102794
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (CID 110102830) is (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCC(Cc2ccncc2)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is XXZYHCGRTFJXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-16-10-15(11-17(20)12-16)18(23)22-7-3-14(4-8-22)9-13-1-5-21-6-2-13/h1-2,5-6,10-12,14H,3-4,7-9H2.
What are the key properties of (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 316.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110102830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).