1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine

C12H23F3N2 — CID 20811798

IUPAC1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-11(2)4-3-5-16-6-8-17(9-7-16)10-12(13,14)15/h11H,3-10H2,1-2H3
InChIKeyRQLBAPJIHHKBOM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.60
Rot. Bonds5

About 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 20811798) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID20811798
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-11(2)4-3-5-16-6-8-17(9-7-16)10-12(13,14)15/h11H,3-10H2,1-2H3
InChIKeyRQLBAPJIHHKBOM-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
(3R)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541695
(3S)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541696
1-Methyl-3-(trifluoromethyl)piperidine
CID 4486325
1-(3-Methylbutyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 20811808
4,4-Difluoro-1-(4-methylpentyl)piperidine
CID 20811829
4,4-Difluoro-1-(3-methylbutyl)piperidine
CID 20811830
4-Ethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 23381152
3,3-Difluoro-1,5-dimethylpiperidine
CID 44239458
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)piperazine
CID 48942244
1-(2,2-Difluoroethyl)-4-ethylpiperidine
CID 57553432
1-(3-Methylcyclobutyl)-4-(3,3,3-trifluoropropyl)piperazine
CID 57640084

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 20811798) is 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine is CC(C)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is RQLBAPJIHHKBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2)4-3-5-16-6-8-17(9-7-16)10-12(13,14)15/h11H,3-10H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 252.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 20811798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).