(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine

C13H18F2N2 — CID 120615750

IUPAC(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccc(C(F)F)cc2)CCN1
InChIInChI=1S/C13H18F2N2/c1-10-8-17(7-6-16-10)9-11-2-4-12(5-3-11)13(14)15/h2-5,10,13,16H,6-9H2,1H3/t10-/m1/s1
InChIKeySVMNARQAVROCEV-SNVBAGLBSA-N
MW240.30 g/mol
LogP2.42
Rot. Bonds3

About (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine

(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine (PubChem CID 120615750) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
PubChem CID120615750
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccc(C(F)F)cc2)CCN1
InChIInChI=1S/C13H18F2N2/c1-10-8-17(7-6-16-10)9-11-2-4-12(5-3-11)13(14)15/h2-5,10,13,16H,6-9H2,1H3/t10-/m1/s1
InChIKeySVMNARQAVROCEV-SNVBAGLBSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924261

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine (CID 120615750) is (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine is C[C@@H]1CN(Cc2ccc(C(F)F)cc2)CCN1.
What is the InChIKey of (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
The InChIKey is SVMNARQAVROCEV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10-8-17(7-6-16-10)9-11-2-4-12(5-3-11)13(14)15/h2-5,10,13,16H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine?
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine has a molecular weight of 240.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine is sourced from PubChem (CID 120615750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).