[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol

C11H19F3N2O — CID 176939437

IUPAC[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-5-3-15(4-6-16)7-10(9-17)1-2-10/h17H,1-9H2
InChIKeyODODDNZQVXWJFH-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.94
Rot. Bonds4

About [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol

[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 176939437) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
PubChem CID176939437
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-5-3-15(4-6-16)7-10(9-17)1-2-10/h17H,1-9H2
InChIKeyODODDNZQVXWJFH-UHFFFAOYSA-N
XLogP0.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 60703561
(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
(1-((4-Fluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 168194853
[1-[[4-(2,2,2-Trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169255370
[1-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169315549
[1-[[(3S)-3-fluoro-1-piperidyl]methyl]cyclopropyl]methanol
CID 171792654
[1-[(3-Fluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 171792746
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350372
1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588202
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172588356
[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
CID 172588371

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol (CID 176939437) is [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol is OCC1(CN2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is ODODDNZQVXWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16-5-3-15(4-6-16)7-10(9-17)1-2-10/h17H,1-9H2.
What are the key properties of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 252.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 176939437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).