1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

C27H30N6O — CID 1449129

IUPAC1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N6O/c1-34-25-14-12-23(13-15-25)26(32-20-18-31(19-21-32)24-10-6-3-7-11-24)27-28-29-30-33(27)17-16-22-8-4-2-5-9-22/h2-15,26H,16-21H2,1H3/t26-/m1/s1
InChIKeyHQKRBNMWOLTNQW-AREMUKBSSA-N
MW454.58 g/mol
LogP3.84
Rot. Bonds8

About 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 1449129) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID1449129
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N6O/c1-34-25-14-12-23(13-15-25)26(32-20-18-31(19-21-32)24-10-6-3-7-11-24)27-28-29-30-33(27)17-16-22-8-4-2-5-9-22/h2-15,26H,16-21H2,1H3/t26-/m1/s1
InChIKeyHQKRBNMWOLTNQW-AREMUKBSSA-N
XLogP3.84
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[(R)-(2,5-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 28673564
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
2-[4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 171668065
1-(4-fluorophenyl)-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449076
2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 3201650
6-methoxy-3-[(R)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 98100892
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284
1-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668322

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 1449129) is 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is HQKRBNMWOLTNQW-AREMUKBSSA-N. The full InChI is InChI=1S/C27H30N6O/c1-34-25-14-12-23(13-15-25)26(32-20-18-31(19-21-32)24-10-6-3-7-11-24)27-28-29-30-33(27)17-16-22-8-4-2-5-9-22/h2-15,26H,16-21H2,1H3/t26-/m1/s1.
What are the key properties of 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine has a molecular weight of 454.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 1449129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).