1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine

C18H36N2O — CID 70899888

IUPAC1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine
SMILESCCCCOCC[C@H]1C[C@@H](CN2CCN(C)CC2)C1(C)C
InChIInChI=1S/C18H36N2O/c1-5-6-12-21-13-7-16-14-17(18(16,2)3)15-20-10-8-19(4)9-11-20/h16-17H,5-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyYNAXDSIAHPCVPQ-IRXDYDNUSA-N
MW296.50 g/mol
LogP3.10
Rot. Bonds8

About 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine

1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine (PubChem CID 70899888) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine
PubChem CID70899888
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine
SMILESCCCCOCC[C@H]1C[C@@H](CN2CCN(C)CC2)C1(C)C
InChIInChI=1S/C18H36N2O/c1-5-6-12-21-13-7-16-14-17(18(16,2)3)15-20-10-8-19(4)9-11-20/h16-17H,5-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyYNAXDSIAHPCVPQ-IRXDYDNUSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine (CID 70899888) is 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine is CCCCOCC[C@H]1C[C@@H](CN2CCN(C)CC2)C1(C)C.
What is the InChIKey of 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine?
The InChIKey is YNAXDSIAHPCVPQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-6-12-21-13-7-16-14-17(18(16,2)3)15-20-10-8-19(4)9-11-20/h16-17H,5-15H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine?
1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine has a molecular weight of 296.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 70899888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).