1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine

C22H36N6 — CID 1444378

IUPAC1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
SMILESCCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H36N6/c1-6-22(4,5)28-21(23-24-25-28)20(16-18(2)3)27-14-12-26(13-15-27)17-19-10-8-7-9-11-19/h7-11,18,20H,6,12-17H2,1-5H3/t20-/m0/s1
InChIKeyNRSLVRREVYWBEH-FQEVSTJZSA-N
MW384.57 g/mol
LogP3.72
Rot. Bonds8

About 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine

1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine (PubChem CID 1444378) has the molecular formula C22H36N6 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
PubChem CID1444378
Molecular FormulaC22H36N6
Molecular Weight384.57 g/mol
Exact Mass384.30
IUPAC Name1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
SMILESCCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H36N6/c1-6-22(4,5)28-21(23-24-25-28)20(16-18(2)3)27-14-12-26(13-15-27)17-19-10-8-7-9-11-19/h7-11,18,20H,6,12-17H2,1-5H3/t20-/m0/s1
InChIKeyNRSLVRREVYWBEH-FQEVSTJZSA-N
XLogP3.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
CID 171668184
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
1-benzyl-4-[(R)-(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 51625627
1-benzyl-4-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668241
1-(1,3-benzodioxol-5-ylmethyl)-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668213
1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1444307
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-benzyl-4-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210591
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-methylpiperazine
CID 860703

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine (CID 1444378) is 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine is CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is NRSLVRREVYWBEH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H36N6/c1-6-22(4,5)28-21(23-24-25-28)20(16-18(2)3)27-14-12-26(13-15-27)17-19-10-8-7-9-11-19/h7-11,18,20H,6,12-17H2,1-5H3/t20-/m0/s1.
What are the key properties of 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 384.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 1444378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).