1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine

C21H42N2O — CID 170372805

IUPAC1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)OC1CCC(CCC(C)(C)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H42N2O/c1-17(2)22-13-15-23(16-14-22)21(5,6)12-11-19-7-9-20(10-8-19)24-18(3)4/h17-20H,7-16H2,1-6H3
InChIKeyCJAKPAGUQVKNEM-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.55
Rot. Bonds7

About 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine

1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine (PubChem CID 170372805) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
PubChem CID170372805
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)OC1CCC(CCC(C)(C)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H42N2O/c1-17(2)22-13-15-23(16-14-22)21(5,6)12-11-19-7-9-20(10-8-19)24-18(3)4/h17-20H,7-16H2,1-6H3
InChIKeyCJAKPAGUQVKNEM-UHFFFAOYSA-N
XLogP4.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311
(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372986
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
CID 138623766
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
CID 167181196
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine
CID 167599517
1-propan-2-yl-4-(3-propan-2-yloxycyclobutyl)piperazine
CID 169289968
1-[2,4-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-yl]-4-(2-methoxyethyl)piperazine
CID 177062081
1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 175636197
1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372630

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine (CID 170372805) is 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine is CC(C)OC1CCC(CCC(C)(C)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is CJAKPAGUQVKNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-17(2)22-13-15-23(16-14-22)21(5,6)12-11-19-7-9-20(10-8-19)24-18(3)4/h17-20H,7-16H2,1-6H3.
What are the key properties of 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine?
1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 338.58 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170372805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).