3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol

C14H23F3N4O2 — CID 128980388

IUPAC3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(CCOCC(F)(F)F)C2)nn1
InChIInChI=1S/C14H23F3N4O2/c1-11(2)21-8-12(18-19-21)13(22)4-3-5-20(9-13)6-7-23-10-14(15,16)17/h8,11,22H,3-7,9-10H2,1-2H3
InChIKeyMKHOYBDJFXPCPW-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.72
Rot. Bonds6

About 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol

3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol (PubChem CID 128980388) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
PubChem CID128980388
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(CCOCC(F)(F)F)C2)nn1
InChIInChI=1S/C14H23F3N4O2/c1-11(2)21-8-12(18-19-21)13(22)4-3-5-20(9-13)6-7-23-10-14(15,16)17/h8,11,22H,3-7,9-10H2,1-2H3
InChIKeyMKHOYBDJFXPCPW-UHFFFAOYSA-N
XLogP1.72
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol 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

1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980350
(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979187
(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484561
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979150
(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483683
1-ethylsulfonyl-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128975140
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482534

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
The IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol (CID 128980388) is 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
The canonical SMILES for 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol is CC(C)n1cc(C2(O)CCCN(CCOCC(F)(F)F)C2)nn1.
What is the InChIKey of 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
The InChIKey is MKHOYBDJFXPCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2/c1-11(2)21-8-12(18-19-21)13(22)4-3-5-20(9-13)6-7-23-10-14(15,16)17/h8,11,22H,3-7,9-10H2,1-2H3.
What are the key properties of 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol has a molecular weight of 336.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol is sourced from PubChem (CID 128980388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).