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

C18H24ClN5 — CID 3893153

IUPAC1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine
SMILESClc1cccc(-n2nnnc2C2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C18H24ClN5/c19-15-8-7-9-16(14-15)24-17(20-21-22-24)18(10-3-1-4-11-18)23-12-5-2-6-13-23/h7-9,14H,1-6,10-13H2
InChIKeyIGOYOLQNMOPISX-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.96
Rot. Bonds3

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

1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine (PubChem CID 3893153) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine
PubChem CID3893153
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC Name1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine
SMILESClc1cccc(-n2nnnc2C2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C18H24ClN5/c19-15-8-7-9-16(14-15)24-17(20-21-22-24)18(10-3-1-4-11-18)23-12-5-2-6-13-23/h7-9,14H,1-6,10-13H2
InChIKeyIGOYOLQNMOPISX-UHFFFAOYSA-N
XLogP3.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine?
The IUPAC name of 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine (CID 3893153) is 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine?
The canonical SMILES for 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine is Clc1cccc(-n2nnnc2C2(N3CCCCC3)CCCCC2)c1.
What is the InChIKey of 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine?
The InChIKey is IGOYOLQNMOPISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5/c19-15-8-7-9-16(14-15)24-17(20-21-22-24)18(10-3-1-4-11-18)23-12-5-2-6-13-23/h7-9,14H,1-6,10-13H2.
What are the key properties of 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine?
1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine has a molecular weight of 345.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]piperidine is sourced from PubChem (CID 3893153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).