1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol

C16H23F3N4O — CID 163354477

IUPAC1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CCCCC1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)13-4-7-20-14(21-13)23-10-8-22(9-11-23)12-15(24)5-2-1-3-6-15/h4,7,24H,1-3,5-6,8-12H2
InChIKeyIVUNKNNFVYLPCK-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.31
Rot. Bonds3

About 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol

1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 163354477) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID163354477
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CCCCC1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)13-4-7-20-14(21-13)23-10-8-22(9-11-23)12-15(24)5-2-1-3-6-15/h4,7,24H,1-3,5-6,8-12H2
InChIKeyIVUNKNNFVYLPCK-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol (CID 163354477) is 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CCCCC1.
What is the InChIKey of 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is IVUNKNNFVYLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c17-16(18,19)13-4-7-20-14(21-13)23-10-8-22(9-11-23)12-15(24)5-2-1-3-6-15/h4,7,24H,1-3,5-6,8-12H2.
What are the key properties of 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 344.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 163354477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).