3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine

C18H23N7 — CID 132969991

IUPAC3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
SMILESCC1CCN(C(C)c2nnnn2-c2ccccc2)CC1n1ccnc1
InChIInChI=1S/C18H23N7/c1-14-8-10-23(12-17(14)24-11-9-19-13-24)15(2)18-20-21-22-25(18)16-6-4-3-5-7-16/h3-7,9,11,13-15,17H,8,10,12H2,1-2H3
InChIKeyJXAMMBLCQASEFJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.50
Rot. Bonds4

About 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine

3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine (PubChem CID 132969991) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
PubChem CID132969991
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
SMILESCC1CCN(C(C)c2nnnn2-c2ccccc2)CC1n1ccnc1
InChIInChI=1S/C18H23N7/c1-14-8-10-23(12-17(14)24-11-9-19-13-24)15(2)18-20-21-22-25(18)16-6-4-3-5-7-16/h3-7,9,11,13-15,17H,8,10,12H2,1-2H3
InChIKeyJXAMMBLCQASEFJ-UHFFFAOYSA-N
XLogP2.50
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
The IUPAC name of 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine (CID 132969991) is 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
The canonical SMILES for 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine is CC1CCN(C(C)c2nnnn2-c2ccccc2)CC1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
The InChIKey is JXAMMBLCQASEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-8-10-23(12-17(14)24-11-9-19-13-24)15(2)18-20-21-22-25(18)16-6-4-3-5-7-16/h3-7,9,11,13-15,17H,8,10,12H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine has a molecular weight of 337.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 132969991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).