1-[(4,4-Difluorocyclohexyl)methyl]piperazine

C11H20F2N2 — CID 81930981

IUPAC1-[(4,4-difluorocyclohexyl)methyl]piperazine
SMILESC1CC(CCC1CN2CCNCC2)(F)F
InChIInChI=1S/C11H20F2N2/c12-11(13)3-1-10(2-4-11)9-15-7-5-14-6-8-15/h10,14H,1-9H2
InChIKeyFNYSMVRBQPWSEI-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.70
Rot. Bonds2

About 1-[(4,4-Difluorocyclohexyl)methyl]piperazine

1-[(4,4-Difluorocyclohexyl)methyl]piperazine (PubChem CID 81930981) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4,4-Difluorocyclohexyl)methyl]piperazine
PubChem CID81930981
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]piperazine
SMILESC1CC(CCC1CN2CCNCC2)(F)F
InChIInChI=1S/C11H20F2N2/c12-11(13)3-1-10(2-4-11)9-15-7-5-14-6-8-15/h10,14H,1-9H2
InChIKeyFNYSMVRBQPWSEI-UHFFFAOYSA-N
XLogP1.70
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity193

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclohexylmethyl)piperazine
CID 2735885
[1-(Cyclohexylmethyl)piperidin-4-yl]methanamine
CID 11310349
1-(2-Cyclohexylethyl)piperazine
CID 2735884
1-(Cyclohexylmethyl)piperazine dihydrochloride
CID 22120190
1-(3-Cyclohexylpropyl)piperazine
CID 2737393
4-(3,3-Difluorobutyl)piperidine
CID 84656072
(Cyclohexylmethyl)(2-(piperidin-1-yl)ethyl)amine dihydrochloride
CID 155820138
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
2-(4-Fluorocyclohexyl)-5-methylpiperazine
CID 20603163

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-Difluorocyclohexyl)methyl]piperazine?
The IUPAC name of 1-[(4,4-Difluorocyclohexyl)methyl]piperazine (CID 81930981) is 1-[(4,4-difluorocyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-[(4,4-Difluorocyclohexyl)methyl]piperazine?
The canonical SMILES for 1-[(4,4-Difluorocyclohexyl)methyl]piperazine is C1CC(CCC1CN2CCNCC2)(F)F.
What is the InChIKey of 1-[(4,4-Difluorocyclohexyl)methyl]piperazine?
The InChIKey is FNYSMVRBQPWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-11(13)3-1-10(2-4-11)9-15-7-5-14-6-8-15/h10,14H,1-9H2.
What are the key properties of 1-[(4,4-Difluorocyclohexyl)methyl]piperazine?
1-[(4,4-Difluorocyclohexyl)methyl]piperazine has a molecular weight of 218.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-Difluorocyclohexyl)methyl]piperazine is sourced from PubChem (CID 81930981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).