2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine

C13H16ClN5 — CID 141120695

IUPAC2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine
SMILESCN1CCCCC1c1nnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN5/c1-18-8-3-2-7-12(18)13-15-17-19(16-13)11-6-4-5-10(14)9-11/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyFPDUVOZCRXCELQ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.47
Rot. Bonds2

About 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine

2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine (PubChem CID 141120695) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine
PubChem CID141120695
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine
SMILESCN1CCCCC1c1nnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN5/c1-18-8-3-2-7-12(18)13-15-17-19(16-13)11-6-4-5-10(14)9-11/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyFPDUVOZCRXCELQ-UHFFFAOYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine?
The IUPAC name of 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine (CID 141120695) is 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine is CN1CCCCC1c1nnn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine?
The InChIKey is FPDUVOZCRXCELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-18-8-3-2-7-12(18)13-15-17-19(16-13)11-6-4-5-10(14)9-11/h4-6,9,12H,2-3,7-8H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine?
2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine has a molecular weight of 277.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)tetrazol-5-yl]-1-methylpiperidine is sourced from PubChem (CID 141120695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).