[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C19H29N3O3 — CID 120938079

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CCOc3ccccc3)CC2)CCOCC1
InChIInChI=1S/C19H29N3O3/c20-16-19(6-13-24-14-7-19)18(23)22-10-8-21(9-11-22)12-15-25-17-4-2-1-3-5-17/h1-5H,6-16,20H2
InChIKeyOCWPXOMVMWYURL-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.97
Rot. Bonds6

About [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 120938079) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID120938079
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CCOc3ccccc3)CC2)CCOCC1
InChIInChI=1S/C19H29N3O3/c20-16-19(6-13-24-14-7-19)18(23)22-10-8-21(9-11-22)12-15-25-17-4-2-1-3-5-17/h1-5H,6-16,20H2
InChIKeyOCWPXOMVMWYURL-UHFFFAOYSA-N
XLogP0.97
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone 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 [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 120938079) is [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is NCC1(C(=O)N2CCN(CCOc3ccccc3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is OCWPXOMVMWYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c20-16-19(6-13-24-14-7-19)18(23)22-10-8-21(9-11-22)12-15-25-17-4-2-1-3-5-17/h1-5H,6-16,20H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120938079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).