ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine

C32H71N5 — CID 155702563

IUPACethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine
SMILESCC.CC.CC(C)N1CCC(CN2CCC(CN3CCN(C(C)C)CC3)CC2)CC1.CCN(C)C(C)C
InChIInChI=1S/C22H44N4.C6H15N.2C2H6/c1-19(2)25-11-7-22(8-12-25)17-23-9-5-21(6-10-23)18-24-13-15-26(16-14-24)20(3)4;1-5-7(4)6(2)3;2*1-2/h19-22H,5-18H2,1-4H3;6H,5H2,1-4H3;2*1-2H3
InChIKeyUJKOYIIHZBUPGP-UHFFFAOYSA-N
MW525.96 g/mol
LogP6.24
Rot. Bonds8

About ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine

ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine (PubChem CID 155702563) has the molecular formula C32H71N5 and a molecular weight of 525.96 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine
PubChem CID155702563
Molecular FormulaC32H71N5
Molecular Weight525.96 g/mol
Exact Mass525.57
IUPAC Nameethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine
SMILESCC.CC.CC(C)N1CCC(CN2CCC(CN3CCN(C(C)C)CC3)CC2)CC1.CCN(C)C(C)C
InChIInChI=1S/C22H44N4.C6H15N.2C2H6/c1-19(2)25-11-7-22(8-12-25)17-23-9-5-21(6-10-23)18-24-13-15-26(16-14-24)20(3)4;1-5-7(4)6(2)3;2*1-2/h19-22H,5-18H2,1-4H3;6H,5H2,1-4H3;2*1-2H3
InChIKeyUJKOYIIHZBUPGP-UHFFFAOYSA-N
XLogP6.24
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.96
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
CID 143051197
2-(1-Fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 154669985
4-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
CID 154670214
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
CID 161578141
4-Fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091285
1-[2-[1-[2-(4,4-Difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine
CID 170253919
1-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170448227
1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine
CID 170450620
1-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170617030
1-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170629140
1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170629341

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
The IUPAC name of ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine (CID 155702563) is ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
The canonical SMILES for ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine is CC.CC.CC(C)N1CCC(CN2CCC(CN3CCN(C(C)C)CC3)CC2)CC1.CCN(C)C(C)C.
What is the InChIKey of ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
The InChIKey is UJKOYIIHZBUPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4.C6H15N.2C2H6/c1-19(2)25-11-7-22(8-12-25)17-23-9-5-21(6-10-23)18-24-13-15-26(16-14-24)20(3)4;1-5-7(4)6(2)3;2*1-2/h19-22H,5-18H2,1-4H3;6H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine has a molecular weight of 525.96 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylpropan-2-amine;1-propan-2-yl-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 155702563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).