1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride

C14H20ClN5 — CID 3030625

IUPAC1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C14H19N5.ClH/c1-3-7-13(8-4-1)14-15-17-19(16-14)12-11-18-9-5-2-6-10-18;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKeyGAHPZEORDWQEHD-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride

1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride (PubChem CID 3030625) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride
PubChem CID3030625
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C14H19N5.ClH/c1-3-7-13(8-4-1)14-15-17-19(16-14)12-11-18-9-5-2-6-10-18;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKeyGAHPZEORDWQEHD-UHFFFAOYSA-N
XLogP2.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride (CID 3030625) is 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride is Cl.c1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride?
The InChIKey is GAHPZEORDWQEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.ClH/c1-3-7-13(8-4-1)14-15-17-19(16-14)12-11-18-9-5-2-6-10-18;/h1,3-4,7-8H,2,5-6,9-12H2;1H.
What are the key properties of 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride?
1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-phenyltetrazol-2-yl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 3030625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).