4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine

C14H19N5 — CID 116844733

IUPAC4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine
SMILESCc1cccc(C2(c3nnn(C)n3)CCNCC2)c1
InChIInChI=1S/C14H19N5/c1-11-4-3-5-12(10-11)14(6-8-15-9-7-14)13-16-18-19(2)17-13/h3-5,10,15H,6-9H2,1-2H3
InChIKeyLJSGCFWTFZHGAR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.19
Rot. Bonds2

About 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine

4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine (PubChem CID 116844733) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine
PubChem CID116844733
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine
SMILESCc1cccc(C2(c3nnn(C)n3)CCNCC2)c1
InChIInChI=1S/C14H19N5/c1-11-4-3-5-12(10-11)14(6-8-15-9-7-14)13-16-18-19(2)17-13/h3-5,10,15H,6-9H2,1-2H3
InChIKeyLJSGCFWTFZHGAR-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyltetrazol-5-yl)-4-(1H-pyrrol-3-yl)piperidine
CID 116844729
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
CID 116844704
1-[1-(3-methylphenyl)cyclohexyl]piperazine
CID 82300802
1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
CID 82132559
1-methyl-4-(2-methyltetrazol-5-yl)piperidin-4-ol
CID 130920846
5-[1-(3-methylphenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956347
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine
CID 115028784
1-(1-ethynylcyclopropyl)-3-methylbenzene
CID 165442265
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine?
The IUPAC name of 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine (CID 116844733) is 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine is Cc1cccc(C2(c3nnn(C)n3)CCNCC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine?
The InChIKey is LJSGCFWTFZHGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-4-3-5-12(10-11)14(6-8-15-9-7-14)13-16-18-19(2)17-13/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine?
4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine has a molecular weight of 257.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine is sourced from PubChem (CID 116844733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).