1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine

C80H170FN11 — CID 157293299

IUPAC1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CC1.CC(C)CCN1CCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC(C)(C)F)CC1.CC(C)CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27FN2.C13H28N2.C10H22N2.2C10H21N.C9H19N.C8H17N.C7H15N/c1-12(2)5-6-15-7-9-16(10-8-15)11-13(3,4)14;1-12(2)5-6-14-7-9-15(10-8-14)11-13(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;2*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)5-8-10-6-3-4-7-10;1-8(2)4-7-9-5-3-6-9;1-7(2)3-4-8-5-6-8/h12H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;10H,4-9H2,1-3H3;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyBBBAUHDPIPDBJX-UHFFFAOYSA-N
MW1305.31 g/mol
LogP16.24
Rot. Bonds28

About 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine

1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine (PubChem CID 157293299) has the molecular formula C80H170FN11 and a molecular weight of 1305.31 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
PubChem CID157293299
Molecular FormulaC80H170FN11
Molecular Weight1305.31 g/mol
Exact Mass1304.36
IUPAC Name1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CC1.CC(C)CCN1CCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC(C)(C)F)CC1.CC(C)CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27FN2.C13H28N2.C10H22N2.2C10H21N.C9H19N.C8H17N.C7H15N/c1-12(2)5-6-15-7-9-16(10-8-15)11-13(3,4)14;1-12(2)5-6-14-7-9-15(10-8-14)11-13(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;2*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)5-8-10-6-3-4-7-10;1-8(2)4-7-9-5-3-6-9;1-7(2)3-4-8-5-6-8/h12H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;10H,4-9H2,1-3H3;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyBBBAUHDPIPDBJX-UHFFFAOYSA-N
XLogP16.24
TPSA35.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.31
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine with MolForge

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Related Compounds

1-(3,3-Dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
CID 159937529
Bis(1,4-dimethylpiperidine);4-fluoro-1,4-dimethylpiperidine;methane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,4,4-trimethylpiperidine
CID 161015276
1-Tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 161021548
Bis(1,4-dimethylpiperidine);4-fluoro-1,4-dimethylpiperidine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,4,4-trimethylpiperidine
CID 161217458

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine (CID 157293299) is 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine is CC(C)CCN1CC1.CC(C)CCN1CCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(CC(C)(C)F)CC1.CC(C)CCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
The InChIKey is BBBAUHDPIPDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2.C13H28N2.C10H22N2.2C10H21N.C9H19N.C8H17N.C7H15N/c1-12(2)5-6-15-7-9-16(10-8-15)11-13(3,4)14;1-12(2)5-6-14-7-9-15(10-8-14)11-13(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;2*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)5-8-10-6-3-4-7-10;1-8(2)4-7-9-5-3-6-9;1-7(2)3-4-8-5-6-8/h12H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;10H,4-9H2,1-3H3;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine?
1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine has a molecular weight of 1305.31 g/mol, XLogP of 16.24, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-4-(3-methylbutyl)piperazine;1-(3-methylbutyl)azetidine;1-(3-methylbutyl)aziridine;1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 157293299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).