1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine

C14H25F3N2 — CID 58235978

IUPAC1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine
SMILESCN1CCN(C2CCC(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2/c1-18-8-10-19(11-9-18)13-4-2-12(3-5-13)6-7-14(15,16)17/h12-13H,2-11H2,1H3
InChIKeyBKCRJHHTIIDOBX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.14
Rot. Bonds3

About 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine

1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine (PubChem CID 58235978) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine
PubChem CID58235978
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine
SMILESCN1CCN(C2CCC(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2/c1-18-8-10-19(11-9-18)13-4-2-12(3-5-13)6-7-14(15,16)17/h12-13H,2-11H2,1H3
InChIKeyBKCRJHHTIIDOBX-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine?
The IUPAC name of 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine (CID 58235978) is 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine is CN1CCN(C2CCC(CCC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine?
The InChIKey is BKCRJHHTIIDOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-18-8-10-19(11-9-18)13-4-2-12(3-5-13)6-7-14(15,16)17/h12-13H,2-11H2,1H3.
What are the key properties of 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine?
1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine has a molecular weight of 278.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine is sourced from PubChem (CID 58235978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).