3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane

C78H161N13 — CID 158042847

IUPAC3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CN(C(C)C)CCN1
InChIInChI=1S/C12H24N2.2C11H22N2.C10H20N2.2C9H19N.C8H18N2.C8H17N/c1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-9(2)12-7-6-11-5-3-4-10(11)8-12;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)9-5-4-8(3)6-9/h11,13H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;2*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyFIOFORCBXRUFND-UHFFFAOYSA-N
MW1281.24 g/mol
LogP13.03
Rot. Bonds8

About 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane

3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 158042847) has the molecular formula C78H161N13 and a molecular weight of 1281.24 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID158042847
Molecular FormulaC78H161N13
Molecular Weight1281.24 g/mol
Exact Mass1280.30
IUPAC Name3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CN(C(C)C)CCN1
InChIInChI=1S/C12H24N2.2C11H22N2.C10H20N2.2C9H19N.C8H18N2.C8H17N/c1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-9(2)12-7-6-11-5-3-4-10(11)8-12;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)9-5-4-8(3)6-9/h11,13H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;2*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyFIOFORCBXRUFND-UHFFFAOYSA-N
XLogP13.03
TPSA68.49 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.24
LogP ≤ 513.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 158801778
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159363688
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 159554690
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 158042847) is 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CN(C(C)C)CCN1.
What is the InChIKey of 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is FIOFORCBXRUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C11H22N2.C10H20N2.2C9H19N.C8H18N2.C8H17N/c1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-9(2)12-7-6-11-5-3-4-10(11)8-12;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)9-5-4-8(3)6-9/h11,13H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;2*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 1281.24 g/mol, XLogP of 13.03, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 158042847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).