1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine

C14H18ClN5 — CID 3167930

IUPAC1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN5/c1-11-6-8-19(9-7-11)10-14-16-17-18-20(14)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyYARHEMFUSLFKJV-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.55
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine

1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine (PubChem CID 3167930) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine
PubChem CID3167930
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN5/c1-11-6-8-19(9-7-11)10-14-16-17-18-20(14)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyYARHEMFUSLFKJV-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine (CID 3167930) is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine is CC1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
The InChIKey is YARHEMFUSLFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-11-6-8-19(9-7-11)10-14-16-17-18-20(14)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine?
1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine has a molecular weight of 291.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 3167930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).