1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine

C22H45N3O — CID 146229412

IUPAC1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)COCCN1CCCC(CC2(C)CN(CC(C)C)CCN2C)C1
InChIInChI=1S/C22H45N3O/c1-19(2)15-25-11-10-23(6)22(5,18-25)14-21-8-7-9-24(16-21)12-13-26-17-20(3)4/h19-21H,7-18H2,1-6H3
InChIKeyOCLJSVWQTLZPOC-UHFFFAOYSA-N
MW367.62 g/mol
LogP3.42
Rot. Bonds9

About 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine

1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine (PubChem CID 146229412) has the molecular formula C22H45N3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine
PubChem CID146229412
Molecular FormulaC22H45N3O
Molecular Weight367.62 g/mol
Exact Mass367.36
IUPAC Name1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)COCCN1CCCC(CC2(C)CN(CC(C)C)CCN2C)C1
InChIInChI=1S/C22H45N3O/c1-19(2)15-25-11-10-23(6)22(5,18-25)14-21-8-7-9-24(16-21)12-13-26-17-20(3)4/h19-21H,7-18H2,1-6H3
InChIKeyOCLJSVWQTLZPOC-UHFFFAOYSA-N
XLogP3.42
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine (CID 146229412) is 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine is CC(C)COCCN1CCCC(CC2(C)CN(CC(C)C)CCN2C)C1.
What is the InChIKey of 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine?
The InChIKey is OCLJSVWQTLZPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O/c1-19(2)15-25-11-10-23(6)22(5,18-25)14-21-8-7-9-24(16-21)12-13-26-17-20(3)4/h19-21H,7-18H2,1-6H3.
What are the key properties of 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine?
1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine has a molecular weight of 367.62 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 146229412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).