1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine

C15H30N6 — CID 857085

IUPAC1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@@H](c1nnnn1CCC(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H30N6/c1-5-6-14(20-11-9-19(4)10-12-20)15-16-17-18-21(15)8-7-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyUHIWKCCKPDSMNJ-AWEZNQCLSA-N
MW294.45 g/mol
LogP1.81
Rot. Bonds7

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

1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 857085) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine
PubChem CID857085
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@@H](c1nnnn1CCC(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H30N6/c1-5-6-14(20-11-9-19(4)10-12-20)15-16-17-18-21(15)8-7-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyUHIWKCCKPDSMNJ-AWEZNQCLSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 3209053
1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
CID 857676
1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
CID 23941642
1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448688
1-[(S)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448690
1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 855592
1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
CID 51625660
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 7388226
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448621
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 3209809

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine (CID 857085) is 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine is CCC[C@@H](c1nnnn1CCC(C)C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is UHIWKCCKPDSMNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N6/c1-5-6-14(20-11-9-19(4)10-12-20)15-16-17-18-21(15)8-7-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine?
1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 294.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 857085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).