4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine

C19H21N5 — CID 705853

IUPAC4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
SMILESc1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-17-11-13-23(14-12-17)19-20-21-22-24(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKeyDVTNYDUYSOLOMJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.12
Rot. Bonds4

About 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine

4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine (PubChem CID 705853) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
PubChem CID705853
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
SMILESc1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-17-11-13-23(14-12-17)19-20-21-22-24(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKeyDVTNYDUYSOLOMJ-UHFFFAOYSA-N
XLogP3.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70759328
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56876864
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine?
The IUPAC name of 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine (CID 705853) is 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine is c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine?
The InChIKey is DVTNYDUYSOLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-17-11-13-23(14-12-17)19-20-21-22-24(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2.
What are the key properties of 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine?
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine has a molecular weight of 319.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine is sourced from PubChem (CID 705853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).