[4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine

C15H28F3N3 — CID 65084610

IUPAC[4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H28F3N3/c1-13-3-2-5-14(11-19,6-4-13)21-9-7-20(8-10-21)12-15(16,17)18/h13H,2-12,19H2,1H3
InChIKeyOOWFZXTUXOPVNK-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.46
Rot. Bonds3

About [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine

[4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine (PubChem CID 65084610) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
PubChem CID65084610
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name[4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H28F3N3/c1-13-3-2-5-14(11-19,6-4-13)21-9-7-20(8-10-21)12-15(16,17)18/h13H,2-12,19H2,1H3
InChIKeyOOWFZXTUXOPVNK-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
The IUPAC name of [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine (CID 65084610) is [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine.
What is the SMILES notation for [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
The canonical SMILES for [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine is CC1CCCC(CN)(N2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
The InChIKey is OOWFZXTUXOPVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-13-3-2-5-14(11-19,6-4-13)21-9-7-20(8-10-21)12-15(16,17)18/h13H,2-12,19H2,1H3.
What are the key properties of [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
[4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine is sourced from PubChem (CID 65084610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).