(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine

C16H21F3N2 — CID 68931957

IUPAC(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1C(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C16H21F3N2/c1-11-10-20-7-8-21(11)15(12-5-6-12)13-3-2-4-14(9-13)16(17,18)19/h2-4,9,11-12,15,20H,5-8,10H2,1H3/t11-,15?/m1/s1
InChIKeyHPHDUMAMMAJPNW-ZRKZCGFPSA-N
MW298.35 g/mol
LogP3.45
Rot. Bonds3

About (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine

(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine (PubChem CID 68931957) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
PubChem CID68931957
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1C(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C16H21F3N2/c1-11-10-20-7-8-21(11)15(12-5-6-12)13-3-2-4-14(9-13)16(17,18)19/h2-4,9,11-12,15,20H,5-8,10H2,1H3/t11-,15?/m1/s1
InChIKeyHPHDUMAMMAJPNW-ZRKZCGFPSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine (CID 68931957) is (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine is C[C@@H]1CNCCN1C(c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
The InChIKey is HPHDUMAMMAJPNW-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-11-10-20-7-8-21(11)15(12-5-6-12)13-3-2-4-14(9-13)16(17,18)19/h2-4,9,11-12,15,20H,5-8,10H2,1H3/t11-,15?/m1/s1.
What are the key properties of (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine has a molecular weight of 298.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine is sourced from PubChem (CID 68931957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).