1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine

C17H24N4 — CID 122139451

IUPAC1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(CCN1CCCC(c2ncn[nH]2)C1)c1ccccc1
InChIInChI=1S/C17H24N4/c1-14(15-6-3-2-4-7-15)9-11-21-10-5-8-16(12-21)17-18-13-19-20-17/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,18,19,20)
InChIKeyBDVMJFFZVSMISA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.18
Rot. Bonds5

About 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine

1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 122139451) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID122139451
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(CCN1CCCC(c2ncn[nH]2)C1)c1ccccc1
InChIInChI=1S/C17H24N4/c1-14(15-6-3-2-4-7-15)9-11-21-10-5-8-16(12-21)17-18-13-19-20-17/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,18,19,20)
InChIKeyBDVMJFFZVSMISA-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4H-1,2,4-triazole
CID 594447
4-Benzyl-1-[3-(5-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperidine
CID 12045494
4-Benzyl-1-[2-(5-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethyl]-piperidine
CID 44366109
4-(4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270771
3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
N-[2-(2-methylphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 45830150
1-{2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl}piperidine
CID 50954302
1-[(3-benzyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,4-diazepane
CID 50966104
1-[(3-benzyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 50971775
1-ethyl-4-{[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl}piperazine
CID 50980299
3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-(2,5-difluorobenzyl)piperidine
CID 53192053
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperidine-1-carboxamide
CID 53505079

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 122139451) is 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine is CC(CCN1CCCC(c2ncn[nH]2)C1)c1ccccc1.
What is the InChIKey of 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is BDVMJFFZVSMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(15-6-3-2-4-7-15)9-11-21-10-5-8-16(12-21)17-18-13-19-20-17/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,18,19,20).
What are the key properties of 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine?
1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 284.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbutyl)-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 122139451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).