1-(oxan-4-ylmethyl)-2-propylpiperazine

C13H26N2O — CID 64832152

IUPAC1-(oxan-4-ylmethyl)-2-propylpiperazine
SMILESCCCC1CNCCN1CC1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-3-13-10-14-6-7-15(13)11-12-4-8-16-9-5-12/h12-14H,2-11H2,1H3
InChIKeyTXGGAXVMQBJCCX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About 1-(oxan-4-ylmethyl)-2-propylpiperazine

1-(oxan-4-ylmethyl)-2-propylpiperazine (PubChem CID 64832152) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-propylpiperazine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-propylpiperazine
PubChem CID64832152
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(oxan-4-ylmethyl)-2-propylpiperazine
SMILESCCCC1CNCCN1CC1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-3-13-10-14-6-7-15(13)11-12-4-8-16-9-5-12/h12-14H,2-11H2,1H3
InChIKeyTXGGAXVMQBJCCX-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylmethyl)-2-propylpiperazine 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

2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine
CID 64833938
1-(oxan-4-ylmethyl)piperazine-2-carbonitrile
CID 79085955
2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
CID 174203443
1-(2-ethylbutyl)-2-propylpiperazine
CID 82923563
1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
CID 120757831
1-ethoxy-2-propylpiperazine
CID 174859898
N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 115238395
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-propylpiperazine?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-propylpiperazine (CID 64832152) is 1-(oxan-4-ylmethyl)-2-propylpiperazine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-propylpiperazine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-propylpiperazine is CCCC1CNCCN1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-propylpiperazine?
The InChIKey is TXGGAXVMQBJCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-13-10-14-6-7-15(13)11-12-4-8-16-9-5-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-(oxan-4-ylmethyl)-2-propylpiperazine?
1-(oxan-4-ylmethyl)-2-propylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-propylpiperazine is sourced from PubChem (CID 64832152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).