1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine

C18H21F3N4 — CID 59216193

IUPAC1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine
SMILESCn1c(N2CCC(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C18H21F3N4/c1-24-15(17(9-10-17)13-5-3-2-4-6-13)22-23-16(24)25-11-7-14(8-12-25)18(19,20)21/h2-6,14H,7-12H2,1H3
InChIKeyRHZNEXCZQQHCNA-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.67
Rot. Bonds3

About 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine (PubChem CID 59216193) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine
PubChem CID59216193
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine
SMILESCn1c(N2CCC(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C18H21F3N4/c1-24-15(17(9-10-17)13-5-3-2-4-6-13)22-23-16(24)25-11-7-14(8-12-25)18(19,20)21/h2-6,14H,7-12H2,1H3
InChIKeyRHZNEXCZQQHCNA-UHFFFAOYSA-N
XLogP3.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine (CID 59216193) is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine is Cn1c(N2CCC(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine?
The InChIKey is RHZNEXCZQQHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c1-24-15(17(9-10-17)13-5-3-2-4-6-13)22-23-16(24)25-11-7-14(8-12-25)18(19,20)21/h2-6,14H,7-12H2,1H3.
What are the key properties of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine?
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 350.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 59216193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).