[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol

C14H26F3N3O — CID 79647022

IUPAC[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
SMILESCCNC1(CO)CCC(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3O/c1-2-18-13(11-21)4-3-12(9-13)20-7-5-19(6-8-20)10-14(15,16)17/h12,18,21H,2-11H2,1H3
InChIKeyYBNVYRITPHFVBZ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.06
Rot. Bonds5

About [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol

[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol (PubChem CID 79647022) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
PubChem CID79647022
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
SMILESCCNC1(CO)CCC(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3O/c1-2-18-13(11-21)4-3-12(9-13)20-7-5-19(6-8-20)10-14(15,16)17/h12,18,21H,2-11H2,1H3
InChIKeyYBNVYRITPHFVBZ-UHFFFAOYSA-N
XLogP1.06
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol?
The IUPAC name of [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol (CID 79647022) is [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol is CCNC1(CO)CCC(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol?
The InChIKey is YBNVYRITPHFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-2-18-13(11-21)4-3-12(9-13)20-7-5-19(6-8-20)10-14(15,16)17/h12,18,21H,2-11H2,1H3.
What are the key properties of [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol?
[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol has a molecular weight of 309.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol is sourced from PubChem (CID 79647022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).