1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine

C24H29ClN6O — CID 51625813

IUPAC1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
SMILESClc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29ClN6O/c25-22-11-5-4-10-21(22)23(24-26-27-28-31(24)18-20-9-6-16-32-20)30-14-12-29(13-15-30)17-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,23H,6,9,12-18H2/t20-,23-/m1/s1
InChIKeyPJJGVADZDCPPLD-NFBKMPQASA-N
MW452.99 g/mol
LogP3.41
Rot. Bonds7

About 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine

1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 51625813) has the molecular formula C24H29ClN6O and a molecular weight of 452.99 g/mol. Its IUPAC name is 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
PubChem CID51625813
Molecular FormulaC24H29ClN6O
Molecular Weight452.99 g/mol
Exact Mass452.21
IUPAC Name1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
SMILESClc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29ClN6O/c25-22-11-5-4-10-21(22)23(24-26-27-28-31(24)18-20-9-6-16-32-20)30-14-12-29(13-15-30)17-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,23H,6,9,12-18H2/t20-,23-/m1/s1
InChIKeyPJJGVADZDCPPLD-NFBKMPQASA-N
XLogP3.41
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine with MolForge

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Related Compounds

1-benzyl-4-[(R)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625801
1-[(R)-(2-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 1445953
1-benzyl-4-[(R)-(4-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625706
1-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1445973
1-benzyl-4-[(R)-(2,5-dimethoxyphenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625819
1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride
CID 53313814
3-[(S)-(4-benzylpiperazin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 1147693
3-[(S)-(4-benzylpiperazin-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1149079
3-[(S)-(4-benzylpiperazin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1145223
3-[(4-benzylpiperazin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3175408
3-[(4-benzylpiperazin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3175332
3-[(4-benzylpiperazin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3175482

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine (CID 51625813) is 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine is Clc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is PJJGVADZDCPPLD-NFBKMPQASA-N. The full InChI is InChI=1S/C24H29ClN6O/c25-22-11-5-4-10-21(22)23(24-26-27-28-31(24)18-20-9-6-16-32-20)30-14-12-29(13-15-30)17-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,23H,6,9,12-18H2/t20-,23-/m1/s1.
What are the key properties of 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?
1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 452.99 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 51625813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).