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

C19H20ClN5 — CID 122174375

IUPAC1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C19H20ClN5/c20-16-10-7-11-17(14-16)25-19(21-22-23-25)18(15-8-3-1-4-9-15)24-12-5-2-6-13-24/h1,3-4,7-11,14,18H,2,5-6,12-13H2
InChIKeyVTTXEZWHCFQNDV-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.89
Rot. Bonds4

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

1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine (PubChem CID 122174375) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
PubChem CID122174375
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C19H20ClN5/c20-16-10-7-11-17(14-16)25-19(21-22-23-25)18(15-8-3-1-4-9-15)24-12-5-2-6-13-24/h1,3-4,7-11,14,18H,2,5-6,12-13H2
InChIKeyVTTXEZWHCFQNDV-UHFFFAOYSA-N
XLogP3.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
CID 122174373
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
CID 171977006
4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
CID 3573370
1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 51684897
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
CID 7250269
1-(3-chlorophenyl)azonane
CID 145391535
1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
CID 7388615
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
3-[(1-benzyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]benzonitrile;hydrochloride
CID 6602681
1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
CID 82089462

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine?
The IUPAC name of 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine (CID 122174375) is 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine?
The canonical SMILES for 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine is Clc1cccc(-n2nnnc2C(c2ccccc2)N2CCCCC2)c1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine?
The InChIKey is VTTXEZWHCFQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c20-16-10-7-11-17(14-16)25-19(21-22-23-25)18(15-8-3-1-4-9-15)24-12-5-2-6-13-24/h1,3-4,7-11,14,18H,2,5-6,12-13H2.
What are the key properties of 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine?
1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine has a molecular weight of 353.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine is sourced from PubChem (CID 122174375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).