1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane

C60H132N6 — CID 153398691

IUPAC1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
SMILESC.C.CC.CC.CC(C)C.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1.CCC(C)(C)C(C)(C)N1CCN(C(C)(C)CC(C)(C)C2CCN(C)CC2)CC1
InChIInChI=1S/2C25H51N3.C4H10.2C2H6.2CH4/c1-11-23(4,5)25(8,9)28-18-16-27(17-19-28)24(6,7)20-22(2,3)21-12-14-26(10)15-13-21;1-11-22(2,3)25(8,9)21-12-14-27(15-13-21)23(4,5)20-24(6,7)28-18-16-26(10)17-19-28;1-4(2)3;2*1-2;;/h2*21H,11-20H2,1-10H3;4H,1-3H3;2*1-2H3;2*1H4
InChIKeyOVCYYSBQAHIHRZ-UHFFFAOYSA-N
MW937.76 g/mol
LogP15.70
Rot. Bonds14

About 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane

1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane (PubChem CID 153398691) has the molecular formula C60H132N6 and a molecular weight of 937.76 g/mol. Its IUPAC name is 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane.

Molecular Properties

Compound Name1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
PubChem CID153398691
Molecular FormulaC60H132N6
Molecular Weight937.76 g/mol
Exact Mass937.05
IUPAC Name1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
SMILESC.C.CC.CC.CC(C)C.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1.CCC(C)(C)C(C)(C)N1CCN(C(C)(C)CC(C)(C)C2CCN(C)CC2)CC1
InChIInChI=1S/2C25H51N3.C4H10.2C2H6.2CH4/c1-11-23(4,5)25(8,9)28-18-16-27(17-19-28)24(6,7)20-22(2,3)21-12-14-26(10)15-13-21;1-11-22(2,3)25(8,9)21-12-14-27(15-13-21)23(4,5)20-24(6,7)28-18-16-26(10)17-19-28;1-4(2)3;2*1-2;;/h2*21H,11-20H2,1-10H3;4H,1-3H3;2*1-2H3;2*1H4
InChIKeyOVCYYSBQAHIHRZ-UHFFFAOYSA-N
XLogP15.70
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.76
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane with MolForge

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Related Compounds

1-Methyl-4-[6-(1-methylpiperidin-4-yl)-5-(4-propan-2-ylpiperazin-1-yl)-7-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]octan-2-yl]piperazine
CID 156160648
1,2,2,6,6-Pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 18691670
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 57105686
N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680686
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680691
N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680708
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-azacyclotetradecane
CID 70010037
2-[4-[2-[[1-(Cyanomethyl)piperidin-3-yl]methyl]-2-(1-methylpiperidin-3-yl)-3-(1-methylpiperidin-4-yl)propyl]piperidin-1-yl]acetonitrile
CID 88094861
3-(1,2,2,3,3-Pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane
CID 91807516
1-tert-butyl-4-[1-[5-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]piperazine
CID 134339698
1-tert-butyl-4-[1-[4-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,4-trimethylpentyl]piperidin-4-yl]piperazine
CID 134582770
3,9-Dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 134591073

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane?
The IUPAC name of 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane (CID 153398691) is 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane.
What is the SMILES notation for 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane?
The canonical SMILES for 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane is C.C.CC.CC.CC(C)C.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1.CCC(C)(C)C(C)(C)N1CCN(C(C)(C)CC(C)(C)C2CCN(C)CC2)CC1.
What is the InChIKey of 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane?
The InChIKey is OVCYYSBQAHIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H51N3.C4H10.2C2H6.2CH4/c1-11-23(4,5)25(8,9)28-18-16-27(17-19-28)24(6,7)20-22(2,3)21-12-14-26(10)15-13-21;1-11-22(2,3)25(8,9)21-12-14-27(15-13-21)23(4,5)20-24(6,7)28-18-16-26(10)17-19-28;1-4(2)3;2*1-2;;/h2*21H,11-20H2,1-10H3;4H,1-3H3;2*1-2H3;2*1H4.
What are the key properties of 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane?
1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane has a molecular weight of 937.76 g/mol, XLogP of 15.70, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane is sourced from PubChem (CID 153398691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).