1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

C79H171N11 — CID 160650902

IUPAC1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.5C9H19N.C8H18N2.2C8H17N.CH4/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;1H4
InChIKeyRKKBDWJNNIYGMQ-UHFFFAOYSA-N
MW1275.31 g/mol
LogP16.76
Rot. Bonds10

About 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 160650902) has the molecular formula C79H171N11 and a molecular weight of 1275.31 g/mol. Its IUPAC name is 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID160650902
Molecular FormulaC79H171N11
Molecular Weight1275.31 g/mol
Exact Mass1274.37
IUPAC Name1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.5C9H19N.C8H18N2.2C8H17N.CH4/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;1H4
InChIKeyRKKBDWJNNIYGMQ-UHFFFAOYSA-N
XLogP16.76
TPSA44.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.31
LogP ≤ 516.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine with MolForge

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Related Compounds

2,2-dimethyl-1-propan-2-ylpiperazine;2,3-dimethyl-1-propan-2-ylpiperazine;(2S,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine
CID 157528600
N'-butyl-N'-methylpropane-1,3-diamine;3-(4-butylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;methane;N-methyl-N-pentylpentan-1-amine;1-methyl-4-propylpiperazine;3-piperidin-1-ylpropan-1-amine;1-propylpiperazine;1-propylpyrrolidine
CID 157580870
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;tris(4-methyl-1-propan-2-ylpiperidine);tris(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157731769
1-(2,5-dimethylpiperazin-1-yl)butan-2-amine;3-(2,5-dimethylpiperazin-1-yl)butan-2-amine;4-(2,5-dimethylpiperazin-1-yl)butan-2-amine;2-(2,5-dimethylpiperazin-1-yl)-N-methylethanamine;1-(2,5-dimethylpiperazin-1-yl)-2-methylpropan-2-amine;1-(2,5-dimethylpiperazin-1-yl)pentan-2-amine;1-(2,5-dimethylpiperazin-1-yl)propan-2-amine
CID 157967906
N'-(2-aminoethyl)-N'-propylethane-1,2-diamine;N'-[3-(butylamino)propyl]propane-1,3-diamine;N'-butyl-N'-methylpropane-1,3-diamine;3-(4-butylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N-methyl-N-pentylpentan-1-amine;1-methyl-4-propylpiperazine;3-piperidin-1-ylpropan-1-amine;1-propylpiperazine;1-propylpyrrolidine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 158034322
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
1-azabicyclo[2.2.2]octane;1-methylazepane;1-methylpiperidine;tris(N-methylpropan-2-amine);1-methylpyrrolidine;piperidine;pyrrolidine
CID 158136572
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
CID 158499748
1-(2,2-Dimethylpiperazin-1-yl)butan-2-amine;3-(2,2-dimethylpiperazin-1-yl)butan-2-amine;4-(2,2-dimethylpiperazin-1-yl)butan-2-amine;1-(2,2-dimethylpiperazin-1-yl)-2-methylpropan-2-amine;1-(2,2-dimethylpiperazin-1-yl)pentan-2-amine;1-(2,2-dimethylpiperazin-1-yl)propan-2-amine
CID 158563496
2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;2-(4-tert-butylpiperazin-1-yl)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]propan-2-amine;2-(4-tert-butylpiperazin-1-yl)-N-methylethanamine;3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine;N-(1-tert-butylpiperidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(1-tert-butylpiperidin-4-yl)-N-ethylethane-1,2-diamine;N'-(1-tert-butylpiperidin-4-yl)-N-methylethane-1,2-diamine;N-(1-tert-butylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine;N'-(1-tert-butylpiperidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 158946118
1-Tert-butyl-1,4-diazoniabicyclo[2.2.2]octane;1-tert-butyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;1-tert-butylpiperazin-1-ium;1-tert-butylpiperidin-1-ium;1-methylpyrrolidin-1-ium
CID 159373570
2,2-Dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
CID 159395728

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 160650902) is 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.
What is the InChIKey of 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is RKKBDWJNNIYGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.5C9H19N.C8H18N2.2C8H17N.CH4/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;1H4.
What are the key properties of 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 1275.31 g/mol, XLogP of 16.76, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 160650902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).