4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride

C16H20ClN7O — CID 68984463

IUPAC4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
SMILESCl.c1nn(C2CCNCC2)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H19N7O.ClH/c1-3-16(4-2-14(1)23-12-18-20-21-23)24-11-13-9-19-22(10-13)15-5-7-17-8-6-15;/h1-4,9-10,12,15,17H,5-8,11H2;1H
InChIKeySXLDFHUITWAPJJ-UHFFFAOYSA-N
MW361.84 g/mol
LogP1.78
Rot. Bonds5

About 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride

4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride (PubChem CID 68984463) has the molecular formula C16H20ClN7O and a molecular weight of 361.84 g/mol. Its IUPAC name is 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
PubChem CID68984463
Molecular FormulaC16H20ClN7O
Molecular Weight361.84 g/mol
Exact Mass361.14
IUPAC Name4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
SMILESCl.c1nn(C2CCNCC2)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H19N7O.ClH/c1-3-16(4-2-14(1)23-12-18-20-21-23)24-11-13-9-19-22(10-13)15-5-7-17-8-6-15;/h1-4,9-10,12,15,17H,5-8,11H2;1H
InChIKeySXLDFHUITWAPJJ-UHFFFAOYSA-N
XLogP1.78
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride 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 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride?
The IUPAC name of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride (CID 68984463) is 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride is Cl.c1nn(C2CCNCC2)cc1COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride?
The InChIKey is SXLDFHUITWAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O.ClH/c1-3-16(4-2-14(1)23-12-18-20-21-23)24-11-13-9-19-22(10-13)15-5-7-17-8-6-15;/h1-4,9-10,12,15,17H,5-8,11H2;1H.
What are the key properties of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride?
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride has a molecular weight of 361.84 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride is sourced from PubChem (CID 68984463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).