ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine

C14H25F3N4 — CID 176692230

IUPACethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCC.CC(C)N1CCC(c2ncn(CC(F)(F)F)n2)CC1
InChIInChI=1S/C12H19F3N4.C2H6/c1-9(2)18-5-3-10(4-6-18)11-16-8-19(17-11)7-12(13,14)15;1-2/h8-10H,3-7H2,1-2H3;1-2H3
InChIKeyRJZREVXDQZXPTI-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.45
Rot. Bonds3

About ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine

ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 176692230) has the molecular formula C14H25F3N4 and a molecular weight of 306.38 g/mol. Its IUPAC name is ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Nameethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID176692230
Molecular FormulaC14H25F3N4
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC Nameethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCC.CC(C)N1CCC(c2ncn(CC(F)(F)F)n2)CC1
InChIInChI=1S/C12H19F3N4.C2H6/c1-9(2)18-5-3-10(4-6-18)11-16-8-19(17-11)7-12(13,14)15;1-2/h8-10H,3-7H2,1-2H3;1-2H3
InChIKeyRJZREVXDQZXPTI-UHFFFAOYSA-N
XLogP3.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine 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-(3-Methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541
4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192546
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 87052206
N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77085462
(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine
CID 100709430
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
(2S)-2-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 131942532

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine (CID 176692230) is ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine is CC.CC(C)N1CCC(c2ncn(CC(F)(F)F)n2)CC1.
What is the InChIKey of ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is RJZREVXDQZXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4.C2H6/c1-9(2)18-5-3-10(4-6-18)11-16-8-19(17-11)7-12(13,14)15;1-2/h8-10H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 306.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 176692230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).