1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride

C14H19Cl2N5 — CID 3074478

IUPAC1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C14H18ClN5.ClH/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19;/h4-7H,1-3,8-11H2;1H
InChIKeyKHQUVDRMYLQBNE-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride

1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride (PubChem CID 3074478) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
PubChem CID3074478
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC Name1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C14H18ClN5.ClH/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19;/h4-7H,1-3,8-11H2;1H
InChIKeyKHQUVDRMYLQBNE-UHFFFAOYSA-N
XLogP2.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 2730635
3-(4-Chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine
CID 535812
s-Tetrazine, 3-(p-chlorophenyl)-6-dimethylamino-
CID 99388
2-[5-(2-Chlorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 1080265
2-(4-Chloro-benzyl)-5-phenyl-2H-tetrazole
CID 763900
ST4075743
CID 312384
2-[(2-Chlorophenyl)methyl]-5-phenyltetrazole
CID 856079
3-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]propanenitrile
CID 8107163
5-(4-Chlorophenyl)-2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]tetrazole
CID 155543850
5-(4-Chlorophenyl)-2-[3-[2-(4-chlorophenyl)pyrrolidin-1-yl]propyl]tetrazole
CID 155558636
1,2,4,5-Tetrazine, 3-(4-chlorophenyl)-
CID 12288263
5-(3-Chlorophenyl)-2-ethyltetrazole
CID 45798981

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride (CID 3074478) is 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride is Cl.Clc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
The InChIKey is KHQUVDRMYLQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5.ClH/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19;/h4-7H,1-3,8-11H2;1H.
What are the key properties of 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride has a molecular weight of 328.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 3074478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).