ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine

C13H31N3O2 — CID 142180435

IUPACethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine
SMILESCC.CNCCN(C)C.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.C5H14N2.C2H6/c8-6(9)5-1-3-7-4-2-5;1-6-4-5-7(2)3;1-2/h5,7H,1-4H2,(H,8,9);6H,4-5H2,1-3H3;1-2H3
InChIKeyWOXYNSBGNVVBPO-UHFFFAOYSA-N
MW261.41 g/mol
LogP0.86
Rot. Bonds4

About ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine

ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 142180435) has the molecular formula C13H31N3O2 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine
PubChem CID142180435
Molecular FormulaC13H31N3O2
Molecular Weight261.41 g/mol
Exact Mass261.24
IUPAC Nameethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine
SMILESCC.CNCCN(C)C.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.C5H14N2.C2H6/c8-6(9)5-1-3-7-4-2-5;1-6-4-5-7(2)3;1-2/h5,7H,1-4H2,(H,8,9);6H,4-5H2,1-3H3;1-2H3
InChIKeyWOXYNSBGNVVBPO-UHFFFAOYSA-N
XLogP0.86
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine 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

N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-[2-(dimethylamino)ethyl]-N-piperidin-4-ylcyclopropanecarboxamide
CID 141093299
N-methyl-3-piperidin-4-ylbut-3-en-1-amine
CID 117268270
(4S)-azepane-4-carboxylic acid
CID 59261053
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945300
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241

Frequently Asked Questions

What is the IUPAC name of ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine (CID 142180435) is ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine is CC.CNCCN(C)C.O=C(O)C1CCNCC1.
What is the InChIKey of ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is WOXYNSBGNVVBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C5H14N2.C2H6/c8-6(9)5-1-3-7-4-2-5;1-6-4-5-7(2)3;1-2/h5,7H,1-4H2,(H,8,9);6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine?
ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidine-4-carboxylic acid;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 142180435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).