2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol

C14H25F3N2O — CID 62967743

IUPAC2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol
SMILESOC1CCCCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19-8-6-18(7-9-19)10-12-4-2-1-3-5-13(12)20/h12-13,20H,1-11H2
InChIKeyVHTSCOQCTYTLSM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds3

About 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol (PubChem CID 62967743) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol
PubChem CID62967743
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol
SMILESOC1CCCCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19-8-6-18(7-9-19)10-12-4-2-1-3-5-13(12)20/h12-13,20H,1-11H2
InChIKeyVHTSCOQCTYTLSM-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol (CID 62967743) is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol is OC1CCCCCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol?
The InChIKey is VHTSCOQCTYTLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)11-19-8-6-18(7-9-19)10-12-4-2-1-3-5-13(12)20/h12-13,20H,1-11H2.
What are the key properties of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol?
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62967743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).