[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C17H27F3N2O2 — CID 71932492

IUPAC[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCN(C2CCCC2O)CC1
InChIInChI=1S/C17H27F3N2O2/c18-17(19,20)13-5-2-1-4-12(13)16(24)22-10-8-21(9-11-22)14-6-3-7-15(14)23/h12-15,23H,1-11H2
InChIKeyDHCNJJOJCJRQRS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.41
Rot. Bonds2

About [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 71932492) has the molecular formula C17H27F3N2O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID71932492
Molecular FormulaC17H27F3N2O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC Name[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCN(C2CCCC2O)CC1
InChIInChI=1S/C17H27F3N2O2/c18-17(19,20)13-5-2-1-4-12(13)16(24)22-10-8-21(9-11-22)14-6-3-7-15(14)23/h12-15,23H,1-11H2
InChIKeyDHCNJJOJCJRQRS-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 71932492) is [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCN(C2CCCC2O)CC1.
What is the InChIKey of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is DHCNJJOJCJRQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O2/c18-17(19,20)13-5-2-1-4-12(13)16(24)22-10-8-21(9-11-22)14-6-3-7-15(14)23/h12-15,23H,1-11H2.
What are the key properties of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 71932492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).