ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

C50H102N8O — CID 177202057

IUPACethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC.CC(C)C(=O)N1CCN(CC2CCN(C)CC2)CC1.CC(C)N1CCC(CC2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2.C16H33N3.C15H29N3O.C2H6/c1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4;1-13(2)15(19)18-10-8-17(9-11-18)12-14-4-6-16(3)7-5-14;1-2/h14-17H,5-13H2,1-4H3;14-16H,5-13H2,1-4H3;13-14H,4-12H2,1-3H3;1-2H3
InChIKeyZOHYFDIZTPVGPT-UHFFFAOYSA-N
MW831.42 g/mol
LogP7.90
Rot. Bonds11

About ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 177202057) has the molecular formula C50H102N8O and a molecular weight of 831.42 g/mol. Its IUPAC name is ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
PubChem CID177202057
Molecular FormulaC50H102N8O
Molecular Weight831.42 g/mol
Exact Mass830.82
IUPAC Nameethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC.CC(C)C(=O)N1CCN(CC2CCN(C)CC2)CC1.CC(C)N1CCC(CC2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2.C16H33N3.C15H29N3O.C2H6/c1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4;1-13(2)15(19)18-10-8-17(9-11-18)12-14-4-6-16(3)7-5-14;1-2/h14-17H,5-13H2,1-4H3;14-16H,5-13H2,1-4H3;13-14H,4-12H2,1-3H3;1-2H3
InChIKeyZOHYFDIZTPVGPT-UHFFFAOYSA-N
XLogP7.90
TPSA42.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.42
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine with MolForge

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Launch Full Analysis

Related Compounds

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CID 355253
2,2-Dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)heptan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;1-(4-methylpiperazin-1-yl)pentan-1-one;1-(4-methylpiperazin-1-yl)propan-1-one
CID 157421676
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 158075959
1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
CID 158091794
Cyclopropyl-[4-(2-methylpropyl)piperidin-1-yl]methanone;1-ethyl-4-(2-ethyl-3-methylbutyl)piperazine;1-(2-ethyl-3-methylbutyl)-4-methylpiperazine;4-(2-ethyl-3-methylbutyl)-1-methylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 158398546
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
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1-Ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
CID 158893731
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
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1-Tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane
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1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 159462569

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (CID 177202057) is ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is CC.CC(C)C(=O)N1CCN(CC2CCN(C)CC2)CC1.CC(C)N1CCC(CC2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is ZOHYFDIZTPVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.C16H33N3.C15H29N3O.C2H6/c1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4;1-13(2)15(19)18-10-8-17(9-11-18)12-14-4-6-16(3)7-5-14;1-2/h14-17H,5-13H2,1-4H3;14-16H,5-13H2,1-4H3;13-14H,4-12H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 831.42 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 177202057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).