3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine

C16H24ClN3O — CID 103058539

IUPAC3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
SMILESNC1CCOCC1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c17-14-2-1-3-15(10-14)20-7-5-19(6-8-20)11-13-12-21-9-4-16(13)18/h1-3,10,13,16H,4-9,11-12,18H2
InChIKeyKIJLDBOXTHLGIX-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.83
Rot. Bonds3

About 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine

3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine (PubChem CID 103058539) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
PubChem CID103058539
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
SMILESNC1CCOCC1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c17-14-2-1-3-15(10-14)20-7-5-19(6-8-20)11-13-12-21-9-4-16(13)18/h1-3,10,13,16H,4-9,11-12,18H2
InChIKeyKIJLDBOXTHLGIX-UHFFFAOYSA-N
XLogP1.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine 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

3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 115295298
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
CID 70730770
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 142164376
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
CID 114421147
[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
CID 62270372
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059949
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
The IUPAC name of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine (CID 103058539) is 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine.
What is the SMILES notation for 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
The canonical SMILES for 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine is NC1CCOCC1CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
The InChIKey is KIJLDBOXTHLGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-14-2-1-3-15(10-14)20-7-5-19(6-8-20)11-13-12-21-9-4-16(13)18/h1-3,10,13,16H,4-9,11-12,18H2.
What are the key properties of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine has a molecular weight of 309.84 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine is sourced from PubChem (CID 103058539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).