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

C12H14ClN5 — CID 69398957

IUPAC1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine
SMILESClc1cccc(-n2nnc(N3CCCCC3)n2)c1
InChIInChI=1S/C12H14ClN5/c13-10-5-4-6-11(9-10)18-15-12(14-16-18)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8H2
InChIKeyXYKIYYFFELVTHB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.31
Rot. Bonds2

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

1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine (PubChem CID 69398957) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine
PubChem CID69398957
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine
SMILESClc1cccc(-n2nnc(N3CCCCC3)n2)c1
InChIInChI=1S/C12H14ClN5/c13-10-5-4-6-11(9-10)18-15-12(14-16-18)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8H2
InChIKeyXYKIYYFFELVTHB-UHFFFAOYSA-N
XLogP2.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)-5-pyrrolidin-1-yltetrazole
CID 56924902
1-[2-(3-Chlorophenyl)tetrazol-5-yl]piperidine;hydrochloride
CID 69398956
1-[[2-(3-Chlorophenyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 69549949
2-[2-(3-Chlorophenyl)tetrazol-5-yl]-1-methylpiperidine
CID 141120695
N'-(3-chloroanilino)pyrrolidine-1-carboximidamide
CID 10376949
2-Bromo-5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 64622820
2-(3-Chlorophenyl)-5-piperidin-1-yl-1,2,4-triazol-3-amine
CID 80489341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine (CID 69398957) is 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine is Clc1cccc(-n2nnc(N3CCCCC3)n2)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine?
The InChIKey is XYKIYYFFELVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-5-4-6-11(9-10)18-15-12(14-16-18)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8H2.
What are the key properties of 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine?
1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine has a molecular weight of 263.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 69398957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).