1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine

C26H27N5O — CID 22729924

IUPAC1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
SMILESCOc1cccc(C2(c3ccc(-c4nn[nH]n4)cc3)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H27N5O/c1-32-24-9-5-8-23(18-24)26(22-12-10-21(11-13-22)25-27-29-30-28-25)14-16-31(17-15-26)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,27,28,29,30)
InChIKeyAWDUGABEZCOKRE-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.46
Rot. Bonds6

About 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine

1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine (PubChem CID 22729924) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
PubChem CID22729924
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
SMILESCOc1cccc(C2(c3ccc(-c4nn[nH]n4)cc3)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H27N5O/c1-32-24-9-5-8-23(18-24)26(22-12-10-21(11-13-22)25-27-29-30-28-25)14-16-31(17-15-26)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,27,28,29,30)
InChIKeyAWDUGABEZCOKRE-UHFFFAOYSA-N
XLogP4.46
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
The IUPAC name of 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine (CID 22729924) is 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine.
What is the SMILES notation for 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
The canonical SMILES for 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine is COc1cccc(C2(c3ccc(-c4nn[nH]n4)cc3)CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
The InChIKey is AWDUGABEZCOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-32-24-9-5-8-23(18-24)26(22-12-10-21(11-13-22)25-27-29-30-28-25)14-16-31(17-15-26)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,27,28,29,30).
What are the key properties of 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine has a molecular weight of 425.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methoxyphenyl)-4-[4-(2H-tetrazol-5-yl)phenyl]piperidine is sourced from PubChem (CID 22729924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).