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

C13H22F2N2O — CID 114226093

IUPAC(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)C2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O/c1-16-11-4-7-17(8-5-11)12(18)10-3-2-6-13(14,15)9-10/h10-11,16H,2-9H2,1H3
InChIKeyFOAFJEOYPUUXEI-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.02
Rot. Bonds2

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

(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114226093) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID114226093
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)C2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O/c1-16-11-4-7-17(8-5-11)12(18)10-3-2-6-13(14,15)9-10/h10-11,16H,2-9H2,1H3
InChIKeyFOAFJEOYPUUXEI-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-chloroethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226677
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 172646215
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226669
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3,3-difluorocyclohexyl)methanone
CID 114226504
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 114226093) is (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)C2CCCC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is FOAFJEOYPUUXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-16-11-4-7-17(8-5-11)12(18)10-3-2-6-13(14,15)9-10/h10-11,16H,2-9H2,1H3.
What are the key properties of (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone?
(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 260.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114226093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).