(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C14H18F2N2O — CID 115304505

IUPAC(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O/c1-14(17-2)5-7-18(8-6-14)13(19)10-3-4-11(15)12(16)9-10/h3-4,9,17H,5-8H2,1-2H3
InChIKeyLCTJNYPRFPQFTL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds2

About (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304505) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304505
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O/c1-14(17-2)5-7-18(8-6-14)13(19)10-3-4-11(15)12(16)9-10/h3-4,9,17H,5-8H2,1-2H3
InChIKeyLCTJNYPRFPQFTL-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
N-(1,4-dimethylpiperidin-4-yl)-3,4-difluorobenzamide
CID 134435231
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304505) is (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is LCTJNYPRFPQFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(17-2)5-7-18(8-6-14)13(19)10-3-4-11(15)12(16)9-10/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 268.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).