3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine

C11H21F2N3 — CID 116991614

IUPAC3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
SMILESCN1CCNC(CCN2CCC(F)(F)C2)C1
InChIInChI=1S/C11H21F2N3/c1-15-7-4-14-10(8-15)2-5-16-6-3-11(12,13)9-16/h10,14H,2-9H2,1H3
InChIKeyKJHQPNXVHBUIKV-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.62
Rot. Bonds3

About 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine

3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine (PubChem CID 116991614) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
PubChem CID116991614
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
SMILESCN1CCNC(CCN2CCC(F)(F)C2)C1
InChIInChI=1S/C11H21F2N3/c1-15-7-4-14-10(8-15)2-5-16-6-3-11(12,13)9-16/h10,14H,2-9H2,1H3
InChIKeyKJHQPNXVHBUIKV-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
CID 130656116
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-methyl-3-prop-2-enylpiperazine
CID 23395683
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
CID 116991618
4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
CID 115239467
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
CID 117029785

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine?
The IUPAC name of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine (CID 116991614) is 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine.
What is the SMILES notation for 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine?
The canonical SMILES for 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine is CN1CCNC(CCN2CCC(F)(F)C2)C1.
What is the InChIKey of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine?
The InChIKey is KJHQPNXVHBUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-15-7-4-14-10(8-15)2-5-16-6-3-11(12,13)9-16/h10,14H,2-9H2,1H3.
What are the key properties of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine?
3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine has a molecular weight of 233.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine is sourced from PubChem (CID 116991614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).