[1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine

C16H26N2O3 — CID 140641209

IUPAC[1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCOC2CC=CC3=C2OCCO3)CC1
InChIInChI=1S/C16H26N2O3/c17-12-13-4-6-18(7-5-13)8-9-19-14-2-1-3-15-16(14)21-11-10-20-15/h1,3,13-14H,2,4-12,17H2
InChIKeySTTCAUYUDCHJFK-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.26
Rot. Bonds5

About [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine

[1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine (PubChem CID 140641209) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine
PubChem CID140641209
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name[1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCOC2CC=CC3=C2OCCO3)CC1
InChIInChI=1S/C16H26N2O3/c17-12-13-4-6-18(7-5-13)8-9-19-14-2-1-3-15-16(14)21-11-10-20-15/h1,3,13-14H,2,4-12,17H2
InChIKeySTTCAUYUDCHJFK-UHFFFAOYSA-N
XLogP1.26
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine 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

(2S,6S)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213109
(2S,6R)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213122
(2S,5R)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213133
(2S,5S)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213203
[1-[2-(2,3,5,6-Tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-yl]methanamine
CID 140641196
1-[2-(2,3,5,6-Tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine
CID 140641207
(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
CID 143095938
4-(4aH-benzo[c]chromen-6-yl)piperidine
CID 153747954
1-[5-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 164139513

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine (CID 140641209) is [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine is NCC1CCN(CCOC2CC=CC3=C2OCCO3)CC1.
What is the InChIKey of [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine?
The InChIKey is STTCAUYUDCHJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c17-12-13-4-6-18(7-5-13)8-9-19-14-2-1-3-15-16(14)21-11-10-20-15/h1,3,13-14H,2,4-12,17H2.
What are the key properties of [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine?
[1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine has a molecular weight of 294.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 140641209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).