1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride

C15H22ClN5 — CID 3074481

IUPAC1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2nnn(CCCN3CCCCC3)n2)cc1
InChIInChI=1S/C15H21N5.ClH/c1-3-8-14(9-4-1)15-16-18-20(17-15)13-7-12-19-10-5-2-6-11-19;/h1,3-4,8-9H,2,5-7,10-13H2;1H
InChIKeyIAUARJFUARFTNF-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride

1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride (PubChem CID 3074481) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride
PubChem CID3074481
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2nnn(CCCN3CCCCC3)n2)cc1
InChIInChI=1S/C15H21N5.ClH/c1-3-8-14(9-4-1)15-16-18-20(17-15)13-7-12-19-10-5-2-6-11-19;/h1,3-4,8-9H,2,5-7,10-13H2;1H
InChIKeyIAUARJFUARFTNF-UHFFFAOYSA-N
XLogP2.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride (CID 3074481) is 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride is Cl.c1ccc(-c2nnn(CCCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride?
The InChIKey is IAUARJFUARFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5.ClH/c1-3-8-14(9-4-1)15-16-18-20(17-15)13-7-12-19-10-5-2-6-11-19;/h1,3-4,8-9H,2,5-7,10-13H2;1H.
What are the key properties of 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride?
1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride has a molecular weight of 307.83 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-phenyltetrazol-2-yl)propyl]piperidine;hydrochloride is sourced from PubChem (CID 3074481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).