1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine

C18H34N6 — CID 857676

IUPAC1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN([C@@H](CC(C)C)c2nnnn2CCC(C)C)CC1
InChIInChI=1S/C18H34N6/c1-6-8-22-10-12-23(13-11-22)17(14-16(4)5)18-19-20-21-24(18)9-7-15(2)3/h6,15-17H,1,7-14H2,2-5H3/t17-/m0/s1
InChIKeySARZZQHZQFIDBO-KRWDZBQOSA-N
MW334.51 g/mol
LogP2.61
Rot. Bonds9

About 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine

1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine (PubChem CID 857676) has the molecular formula C18H34N6 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
PubChem CID857676
Molecular FormulaC18H34N6
Molecular Weight334.51 g/mol
Exact Mass334.28
IUPAC Name1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN([C@@H](CC(C)C)c2nnnn2CCC(C)C)CC1
InChIInChI=1S/C18H34N6/c1-6-8-22-10-12-23(13-11-22)17(14-16(4)5)18-19-20-21-24(18)9-7-15(2)3/h6,15-17H,1,7-14H2,2-5H3/t17-/m0/s1
InChIKeySARZZQHZQFIDBO-KRWDZBQOSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-prop-2-enylpiperazine
CID 7391526
1-[(R)-[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]-4-prop-2-enylpiperazine
CID 1448652
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-3-methylbutyl]-4-prop-2-enylpiperazine
CID 23969575
1-[[1-(3-methylbutyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668540
1-[(1R)-3-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
CID 1448880
1-[(R)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 1448734
1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine
CID 857085
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-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
CID 7391891
1-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
CID 7391889
1-[(1R)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7397215
1-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 7391596

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine (CID 857676) is 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine is C=CCN1CCN([C@@H](CC(C)C)c2nnnn2CCC(C)C)CC1.
What is the InChIKey of 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
The InChIKey is SARZZQHZQFIDBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H34N6/c1-6-8-22-10-12-23(13-11-22)17(14-16(4)5)18-19-20-21-24(18)9-7-15(2)3/h6,15-17H,1,7-14H2,2-5H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine?
1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine has a molecular weight of 334.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 857676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).