(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine

C11H20F2N2 — CID 99778390

IUPAC(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine
SMILESC[C@H]1CN(C2CC(C(F)F)C2)C[C@H](C)N1
InChIInChI=1S/C11H20F2N2/c1-7-5-15(6-8(2)14-7)10-3-9(4-10)11(12)13/h7-11,14H,3-6H2,1-2H3/t7-,8-,9?,10?/m0/s1
InChIKeyHJWYWQRVGZQMFK-DKEVHCRPSA-N
MW218.29 g/mol
LogP1.71
Rot. Bonds2

About (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine

(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine (PubChem CID 99778390) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine
PubChem CID99778390
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine
SMILESC[C@H]1CN(C2CC(C(F)F)C2)C[C@H](C)N1
InChIInChI=1S/C11H20F2N2/c1-7-5-15(6-8(2)14-7)10-3-9(4-10)11(12)13/h7-11,14H,3-6H2,1-2H3/t7-,8-,9?,10?/m0/s1
InChIKeyHJWYWQRVGZQMFK-DKEVHCRPSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
CID 166077594
(3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine
CID 130988137
3,5-dimethyl-1-(3,3,5-trimethylcyclohexyl)piperazine
CID 63863327
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine
CID 63863678
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
CID 178147486
1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
CID 79677636
(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
CID 167526507
(2S,4S)-2,4-dimethylazetidine;hydrochloride
CID 135392273
1-(3,5-dimethylpiperazin-1-yl)propan-2-amine
CID 67575948

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine?
The IUPAC name of (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine (CID 99778390) is (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine.
What is the SMILES notation for (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine?
The canonical SMILES for (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine is C[C@H]1CN(C2CC(C(F)F)C2)C[C@H](C)N1.
What is the InChIKey of (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine?
The InChIKey is HJWYWQRVGZQMFK-DKEVHCRPSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-7-5-15(6-8(2)14-7)10-3-9(4-10)11(12)13/h7-11,14H,3-6H2,1-2H3/t7-,8-,9?,10?/m0/s1.
What are the key properties of (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine?
(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine has a molecular weight of 218.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 99778390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).