(3R)-3-(fluoromethyl)-1-methylpiperazine

C6H13FN2 — CID 67523011

IUPAC(3R)-3-(fluoromethyl)-1-methylpiperazine
SMILESCN1CCN[C@@H](CF)C1
InChIInChI=1S/C6H13FN2/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyPJODYEGWCUOOIP-LURJTMIESA-N
MW132.18 g/mol
LogP-0.14
Rot. Bonds1

About (3R)-3-(fluoromethyl)-1-methylpiperazine

(3R)-3-(fluoromethyl)-1-methylpiperazine (PubChem CID 67523011) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-1-methylpiperazine.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-1-methylpiperazine
PubChem CID67523011
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3R)-3-(fluoromethyl)-1-methylpiperazine
SMILESCN1CCN[C@@H](CF)C1
InChIInChI=1S/C6H13FN2/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyPJODYEGWCUOOIP-LURJTMIESA-N
XLogP-0.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-methyl-3-prop-2-enylpiperazine
CID 23395683
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
1-methyl-3-(propylsulfanylmethyl)piperazine
CID 117034417
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
CID 116991614
1-methyl-3-(propylsulfonylmethyl)piperazine
CID 117037219
1-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-4-amine
CID 115239353
methyl 3-(fluoromethyl)piperazine-1-carboxylate
CID 83816620
methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
CID 130404511

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)-1-methylpiperazine?
The IUPAC name of (3R)-3-(fluoromethyl)-1-methylpiperazine (CID 67523011) is (3R)-3-(fluoromethyl)-1-methylpiperazine.
What is the SMILES notation for (3R)-3-(fluoromethyl)-1-methylpiperazine?
The canonical SMILES for (3R)-3-(fluoromethyl)-1-methylpiperazine is CN1CCN[C@@H](CF)C1.
What is the InChIKey of (3R)-3-(fluoromethyl)-1-methylpiperazine?
The InChIKey is PJODYEGWCUOOIP-LURJTMIESA-N. The full InChI is InChI=1S/C6H13FN2/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-3-(fluoromethyl)-1-methylpiperazine?
(3R)-3-(fluoromethyl)-1-methylpiperazine has a molecular weight of 132.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(fluoromethyl)-1-methylpiperazine is sourced from PubChem (CID 67523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).