ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine

C15H28N2O — CID 143202030

IUPACethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine
SMILESCC.CN1CCCC(COC2=CCC(N)C=C2)C1
InChIInChI=1S/C13H22N2O.C2H6/c1-15-8-2-3-11(9-15)10-16-13-6-4-12(14)5-7-13;1-2/h4,6-7,11-12H,2-3,5,8-10,14H2,1H3;1-2H3
InChIKeyKZKWXDGOEDTGLQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds3

About ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine

ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine (PubChem CID 143202030) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine
PubChem CID143202030
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nameethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine
SMILESCC.CN1CCCC(COC2=CCC(N)C=C2)C1
InChIInChI=1S/C13H22N2O.C2H6/c1-15-8-2-3-11(9-15)10-16-13-6-4-12(14)5-7-13;1-2/h4,6-7,11-12H,2-3,5,8-10,14H2,1H3;1-2H3
InChIKeyKZKWXDGOEDTGLQ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-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-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 130356531
N-[[5-(piperidin-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
CID 142041414
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
CID 142125212
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 143089643
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
3-(Cyclohexa-1,3-dien-1-yloxymethyl)piperidine
CID 146685265
3-[(6-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104786
3-[(2-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104987
2-(Cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine
CID 169112914

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine?
The IUPAC name of ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine (CID 143202030) is ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine is CC.CN1CCCC(COC2=CCC(N)C=C2)C1.
What is the InChIKey of ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine?
The InChIKey is KZKWXDGOEDTGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.C2H6/c1-15-8-2-3-11(9-15)10-16-13-6-4-12(14)5-7-13;1-2/h4,6-7,11-12H,2-3,5,8-10,14H2,1H3;1-2H3.
What are the key properties of ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine?
ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).