3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine

C17H24N4 — CID 131922870

IUPAC3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
SMILESCc1cccc(C2CCCN(CCn3cnnc3C)C2)c1
InChIInChI=1S/C17H24N4/c1-14-5-3-6-16(11-14)17-7-4-8-20(12-17)9-10-21-13-18-19-15(21)2/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3
InChIKeyMGPLORUSTVTQAH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.77
Rot. Bonds4

About 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine

3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine (PubChem CID 131922870) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
PubChem CID131922870
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
SMILESCc1cccc(C2CCCN(CCn3cnnc3C)C2)c1
InChIInChI=1S/C17H24N4/c1-14-5-3-6-16(11-14)17-7-4-8-20(12-17)9-10-21-13-18-19-15(21)2/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3
InChIKeyMGPLORUSTVTQAH-UHFFFAOYSA-N
XLogP2.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104527000
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 154909968

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine?
The IUPAC name of 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine (CID 131922870) is 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine?
The canonical SMILES for 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine is Cc1cccc(C2CCCN(CCn3cnnc3C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine?
The InChIKey is MGPLORUSTVTQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-5-3-6-16(11-14)17-7-4-8-20(12-17)9-10-21-13-18-19-15(21)2/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine?
3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine has a molecular weight of 284.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 131922870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).