N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine

C17H22N8 — CID 154753993

IUPACN-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine
SMILESCn1nnnc1N1CCC(NC(c2ccccc2)c2ncc[nH]2)CC1
InChIInChI=1S/C17H22N8/c1-24-17(21-22-23-24)25-11-7-14(8-12-25)20-15(16-18-9-10-19-16)13-5-3-2-4-6-13/h2-6,9-10,14-15,20H,7-8,11-12H2,1H3,(H,18,19)
InChIKeyOHGOCXWQYLJHED-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.28
Rot. Bonds5

About N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine

N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine (PubChem CID 154753993) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine
PubChem CID154753993
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine
SMILESCn1nnnc1N1CCC(NC(c2ccccc2)c2ncc[nH]2)CC1
InChIInChI=1S/C17H22N8/c1-24-17(21-22-23-24)25-11-7-14(8-12-25)20-15(16-18-9-10-19-16)13-5-3-2-4-6-13/h2-6,9-10,14-15,20H,7-8,11-12H2,1H3,(H,18,19)
InChIKeyOHGOCXWQYLJHED-UHFFFAOYSA-N
XLogP1.28
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine?
The IUPAC name of N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine (CID 154753993) is N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine.
What is the SMILES notation for N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine?
The canonical SMILES for N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine is Cn1nnnc1N1CCC(NC(c2ccccc2)c2ncc[nH]2)CC1.
What is the InChIKey of N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine?
The InChIKey is OHGOCXWQYLJHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-24-17(21-22-23-24)25-11-7-14(8-12-25)20-15(16-18-9-10-19-16)13-5-3-2-4-6-13/h2-6,9-10,14-15,20H,7-8,11-12H2,1H3,(H,18,19).
What are the key properties of N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine?
N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 154753993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).