ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane

C36H84N4 — CID 157230399

IUPACethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane
SMILESC.CC.CC.CC.CCC1CCCN(C(C)C)C1.CCC1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/2C10H21N.C9H20N2.3C2H6.CH4/c1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;3*1-2;/h2*9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;3*1-2H3;1H4
InChIKeyAUANDVZNPGUNCW-UHFFFAOYSA-N
MW573.10 g/mol
LogP9.78
Rot. Bonds6

About ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane

ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane (PubChem CID 157230399) has the molecular formula C36H84N4 and a molecular weight of 573.10 g/mol. Its IUPAC name is ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane.

Molecular Properties

Compound Nameethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane
PubChem CID157230399
Molecular FormulaC36H84N4
Molecular Weight573.10 g/mol
Exact Mass572.67
IUPAC Nameethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane
SMILESC.CC.CC.CC.CCC1CCCN(C(C)C)C1.CCC1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/2C10H21N.C9H20N2.3C2H6.CH4/c1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;3*1-2;/h2*9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;3*1-2H3;1H4
InChIKeyAUANDVZNPGUNCW-UHFFFAOYSA-N
XLogP9.78
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.10
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinuclidinium, 2,3-bis(dimethylaminomethyl)-1-methyl-, iodide
CID 113785
(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
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
3-Fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171723125
1-[[4-Fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-4-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 171748309
1-[1-[[4-Fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748519
1-Tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)-3-fluoropiperidin-4-yl]methyl]piperazine
CID 172110218
1-Tert-butyl-4-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine
CID 172110356
1-(1-Tert-butyl-3-fluoropiperidin-4-yl)-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine
CID 172110399
1-[1-[[4-Fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]-4-methylpiperazine
CID 174347907
1-Ethyl-4-[[1-(3-fluoro-1,1-dimethylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]piperazine
CID 175622910
1-[[3-Fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 175622915

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane?
The IUPAC name of ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane (CID 157230399) is ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane.
What is the SMILES notation for ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane?
The canonical SMILES for ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane is C.CC.CC.CC.CCC1CCCN(C(C)C)C1.CCC1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane?
The InChIKey is AUANDVZNPGUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21N.C9H20N2.3C2H6.CH4/c1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;3*1-2;/h2*9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;3*1-2H3;1H4.
What are the key properties of ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane?
ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane has a molecular weight of 573.10 g/mol, XLogP of 9.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane is sourced from PubChem (CID 157230399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).