2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine

C22H28N6O — CID 143087593

IUPAC2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine
SMILESNCOCCn1nnc(C2(c3ccccc3)CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H28N6O/c23-18-29-16-15-28-25-21(24-26-28)22(20-9-5-2-6-10-20)11-13-27(14-12-22)17-19-7-3-1-4-8-19/h1-10H,11-18,23H2
InChIKeyRSMORGSLTACPOP-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.19
Rot. Bonds8

About 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine

2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine (PubChem CID 143087593) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine.

Molecular Properties

Compound Name2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine
PubChem CID143087593
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine
SMILESNCOCCn1nnc(C2(c3ccccc3)CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H28N6O/c23-18-29-16-15-28-25-21(24-26-28)22(20-9-5-2-6-10-20)11-13-27(14-12-22)17-19-7-3-1-4-8-19/h1-10H,11-18,23H2
InChIKeyRSMORGSLTACPOP-UHFFFAOYSA-N
XLogP2.19
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
4-[2-[(4-tert-butylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid
CID 22240887
ethyl 4-[2-[(3-fluorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylate
CID 23600772
benzamide;4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carbothioic S-acid
CID 87392865
[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 22240851
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
CID 59869115
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
[3-[4-[2-[2-(methanesulfonamido)ethyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-1,1-diphenylpropoxy]methylidene-dimethylazanium
CID 58842951
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane
CID 162015011
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine?
The IUPAC name of 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine (CID 143087593) is 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine.
What is the SMILES notation for 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine?
The canonical SMILES for 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine is NCOCCn1nnc(C2(c3ccccc3)CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine?
The InChIKey is RSMORGSLTACPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c23-18-29-16-15-28-25-21(24-26-28)22(20-9-5-2-6-10-20)11-13-27(14-12-22)17-19-7-3-1-4-8-19/h1-10H,11-18,23H2.
What are the key properties of 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine?
2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine has a molecular weight of 392.51 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine is sourced from PubChem (CID 143087593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).