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

C14H25F3N2O — CID 62967740

IUPAC4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2O/c1-11-2-3-13(20)12(8-11)9-18-4-6-19(7-5-18)10-14(15,16)17/h11-13,20H,2-10H2,1H3
InChIKeyKSPMTCLSKVXPAS-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.96
Rot. Bonds3

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

4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 62967740) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID62967740
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2O/c1-11-2-3-13(20)12(8-11)9-18-4-6-19(7-5-18)10-14(15,16)17/h11-13,20H,2-10H2,1H3
InChIKeyKSPMTCLSKVXPAS-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 62967740) is 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is CC1CCC(O)C(CN2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is KSPMTCLSKVXPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-11-2-3-13(20)12(8-11)9-18-4-6-19(7-5-18)10-14(15,16)17/h11-13,20H,2-10H2,1H3.
What are the key properties of 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62967740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).