1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine

C20H40N2O — CID 171598403

IUPAC1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC(C)OC1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-16(2)14-18(5)23-20-8-6-19(7-9-20)15-21-10-12-22(13-11-21)17(3)4/h16-20H,6-15H2,1-5H3
InChIKeyMHNJWXFUQWAAST-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.02
Rot. Bonds7

About 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine

1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine (PubChem CID 171598403) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
PubChem CID171598403
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC(C)OC1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-16(2)14-18(5)23-20-8-6-19(7-9-20)15-21-10-12-22(13-11-21)17(3)4/h16-20H,6-15H2,1-5H3
InChIKeyMHNJWXFUQWAAST-UHFFFAOYSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine (CID 171598403) is 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine is CC(C)CC(C)OC1CCC(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is MHNJWXFUQWAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-16(2)14-18(5)23-20-8-6-19(7-9-20)15-21-10-12-22(13-11-21)17(3)4/h16-20H,6-15H2,1-5H3.
What are the key properties of 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 324.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171598403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).