3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine

C27H30N6 — CID 1435783

IUPAC3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine
SMILESc1ccc(CCn2nnnc2[C@@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N6/c1-3-8-22(9-4-1)15-19-33-27(29-30-31-33)26(25-12-7-16-28-21-25)32-17-13-24(14-18-32)20-23-10-5-2-6-11-23/h1-12,16,21,24,26H,13-15,17-20H2/t26-/m1/s1
InChIKeyUBEDSTAKIDAMNR-AREMUKBSSA-N
MW438.58 g/mol
LogP4.35
Rot. Bonds8

About 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine

3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine (PubChem CID 1435783) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine
PubChem CID1435783
Molecular FormulaC27H30N6
Molecular Weight438.58 g/mol
Exact Mass438.25
IUPAC Name3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine
SMILESc1ccc(CCn2nnnc2[C@@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N6/c1-3-8-22(9-4-1)15-19-33-27(29-30-31-33)26(25-12-7-16-28-21-25)32-17-13-24(14-18-32)20-23-10-5-2-6-11-23/h1-12,16,21,24,26H,13-15,17-20H2/t26-/m1/s1
InChIKeyUBEDSTAKIDAMNR-AREMUKBSSA-N
XLogP4.35
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
(8aS)-2-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124766331
1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 167687220
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
CID 167557248
ethyl 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate
CID 3229294
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
2-[4-[(S)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 1433997

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine?
The IUPAC name of 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine (CID 1435783) is 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine.
What is the SMILES notation for 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine?
The canonical SMILES for 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine is c1ccc(CCn2nnnc2[C@@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine?
The InChIKey is UBEDSTAKIDAMNR-AREMUKBSSA-N. The full InChI is InChI=1S/C27H30N6/c1-3-8-22(9-4-1)15-19-33-27(29-30-31-33)26(25-12-7-16-28-21-25)32-17-13-24(14-18-32)20-23-10-5-2-6-11-23/h1-12,16,21,24,26H,13-15,17-20H2/t26-/m1/s1.
What are the key properties of 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine?
3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine has a molecular weight of 438.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine is sourced from PubChem (CID 1435783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).