1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine

C19H23N6+ — CID 2561113

IUPAC1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
SMILESc1ccc(C[NH+]2CCC(Nc3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N6/c1-3-7-16(8-4-1)15-24-13-11-17(12-14-24)20-19-21-22-23-25(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,20,21,23)/p+1
InChIKeyRQJFMOCPBBZJFB-UHFFFAOYSA-O
MW335.44 g/mol
LogP1.32
Rot. Bonds5

About 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine

1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine (PubChem CID 2561113) has the molecular formula C19H23N6+ and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
PubChem CID2561113
Molecular FormulaC19H23N6+
Molecular Weight335.44 g/mol
Exact Mass335.20
IUPAC Name1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
SMILESc1ccc(C[NH+]2CCC(Nc3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N6/c1-3-7-16(8-4-1)15-24-13-11-17(12-14-24)20-19-21-22-23-25(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,20,21,23)/p+1
InChIKeyRQJFMOCPBBZJFB-UHFFFAOYSA-O
XLogP1.32
TPSA60.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine
CID 9023675
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
CID 64670207
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
(2R,3S,4S)-2-(hydroxymethyl)-4-[(1-phenyltetrazol-5-yl)amino]oxan-3-ol
CID 154817090
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
CID 11938976
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 133300991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine?
The IUPAC name of 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine (CID 2561113) is 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine.
What is the SMILES notation for 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine?
The canonical SMILES for 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine is c1ccc(C[NH+]2CCC(Nc3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine?
The InChIKey is RQJFMOCPBBZJFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N6/c1-3-7-16(8-4-1)15-24-13-11-17(12-14-24)20-19-21-22-23-25(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,20,21,23)/p+1.
What are the key properties of 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine?
1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine has a molecular weight of 335.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine is sourced from PubChem (CID 2561113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).