1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane

C34H74N4 — CID 157149607

IUPAC1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane
SMILESCC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C11H23N.C10H22N2.C2H6/c3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;1-2H3
InChIKeyALCIOMBUUNSFNU-UHFFFAOYSA-N
MW538.99 g/mol
LogP7.97
Rot. Bonds6

About 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane

1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane (PubChem CID 157149607) has the molecular formula C34H74N4 and a molecular weight of 538.99 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane
PubChem CID157149607
Molecular FormulaC34H74N4
Molecular Weight538.99 g/mol
Exact Mass538.59
IUPAC Name1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane
SMILESCC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C11H23N.C10H22N2.C2H6/c3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;1-2H3
InChIKeyALCIOMBUUNSFNU-UHFFFAOYSA-N
XLogP7.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane 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

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-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-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
1-[[1-(1-Tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176760614
1-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-N,N-dimethylmethanamine
CID 72780077
1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine
CID 134963715

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane?
The IUPAC name of 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane (CID 157149607) is 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane.
What is the SMILES notation for 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane?
The canonical SMILES for 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane is CC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane?
The InChIKey is ALCIOMBUUNSFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.C10H22N2.C2H6/c3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane?
1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane has a molecular weight of 538.99 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane is sourced from PubChem (CID 157149607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).