1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine

C15H20ClF3N2 — CID 170862929

IUPAC1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20ClF3N2/c1-20-7-9-21(10-8-20)6-2-3-12-4-5-13(16)11-14(12)15(17,18)19/h4-5,11H,2-3,6-10H2,1H3
InChIKeyQECKDWWEHMAMCR-UHFFFAOYSA-N
MW320.79 g/mol
LogP3.54
Rot. Bonds4

About 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine

1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine (PubChem CID 170862929) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
PubChem CID170862929
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20ClF3N2/c1-20-7-9-21(10-8-20)6-2-3-12-4-5-13(16)11-14(12)15(17,18)19/h4-5,11H,2-3,6-10H2,1H3
InChIKeyQECKDWWEHMAMCR-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine (CID 170862929) is 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine?
The InChIKey is QECKDWWEHMAMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-20-7-9-21(10-8-20)6-2-3-12-4-5-13(16)11-14(12)15(17,18)19/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine?
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine has a molecular weight of 320.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170862929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).