1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine

C20H32N6 — CID 1443719

IUPAC1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
SMILESCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N6/c1-5-9-18(19-21-22-23-26(19)20(2,3)4)25-14-12-24(13-15-25)16-17-10-7-6-8-11-17/h6-8,10-11,18H,5,9,12-16H2,1-4H3/t18-/m0/s1
InChIKeyXESPENSQQYSNAD-SFHVURJKSA-N
MW356.52 g/mol
LogP3.09
Rot. Bonds6

About 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine

1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine (PubChem CID 1443719) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
PubChem CID1443719
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
SMILESCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N6/c1-5-9-18(19-21-22-23-26(19)20(2,3)4)25-14-12-24(13-15-25)16-17-10-7-6-8-11-17/h6-8,10-11,18H,5,9,12-16H2,1-4H3/t18-/m0/s1
InChIKeyXESPENSQQYSNAD-SFHVURJKSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.09
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-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 1444378
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1444307
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
CID 1443711
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
6-[(4-benzylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]quinoline
CID 3193630
1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 3209053

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine?
The IUPAC name of 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine (CID 1443719) is 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine is CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine?
The InChIKey is XESPENSQQYSNAD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N6/c1-5-9-18(19-21-22-23-26(19)20(2,3)4)25-14-12-24(13-15-25)16-17-10-7-6-8-11-17/h6-8,10-11,18H,5,9,12-16H2,1-4H3/t18-/m0/s1.
What are the key properties of 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine?
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine has a molecular weight of 356.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine is sourced from PubChem (CID 1443719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).