(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone

C15H20F2N2O — CID 155245200

IUPAC(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C15H20F2N2O/c1-14(2,3)12-10-11(4-7-18-12)13(20)19-8-5-15(16,17)6-9-19/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyTXYMMVXOHRVDPV-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.25
Rot. Bonds1

About (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone

(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155245200) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155245200
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C15H20F2N2O/c1-14(2,3)12-10-11(4-7-18-12)13(20)19-8-5-15(16,17)6-9-19/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyTXYMMVXOHRVDPV-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 134273160
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 154852886
(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 121451640
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191
1-[(2R)-4-(2-tert-butylpyridine-4-carbonyl)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889355
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
CID 121494320

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone (CID 155245200) is (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is TXYMMVXOHRVDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-14(2,3)12-10-11(4-7-18-12)13(20)19-8-5-15(16,17)6-9-19/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155245200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).