(3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid

C10H17NO2 — CID 163906072

IUPAC(3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid
SMILESC/C=C1\C(C(=O)O)CCN(C)C1C
InChIInChI=1S/C10H17NO2/c1-4-8-7(2)11(3)6-5-9(8)10(12)13/h4,7,9H,5-6H2,1-3H3,(H,12,13)/b8-4-
InChIKeyQOAGBEFUUSYHBA-YWEYNIOJSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds1

About (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid

(3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid (PubChem CID 163906072) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid
PubChem CID163906072
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid
SMILESC/C=C1\C(C(=O)O)CCN(C)C1C
InChIInChI=1S/C10H17NO2/c1-4-8-7(2)11(3)6-5-9(8)10(12)13/h4,7,9H,5-6H2,1-3H3,(H,12,13)/b8-4-
InChIKeyQOAGBEFUUSYHBA-YWEYNIOJSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (1R,5R)-5-(diethylamino)cyclohex-3-ene-1-carboxylate
CID 10954841
methyl (1R,5S)-5-(diethylamino)cyclohex-3-ene-1-carboxylate
CID 134900442
(1R,5S)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 46175440
(1S,5R)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 46175522
Rac-cis-5-(4-methyl-piperazin-1-yl)-cyclohex-3-ene-carboxylic acid
CID 46175620
(1S,5S)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 58543997
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butanoic acid
CID 67362986
(5S)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 70920666
5-(4-Methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 70920706
(5R)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 70920715
4-[4-(2,5-Dimethylidenehept-3-enyl)piperidin-1-yl]butanoic acid
CID 123806667
(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid
CID 130409396

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid (CID 163906072) is (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid is C/C=C1\C(C(=O)O)CCN(C)C1C.
What is the InChIKey of (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid?
The InChIKey is QOAGBEFUUSYHBA-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-8-7(2)11(3)6-5-9(8)10(12)13/h4,7,9H,5-6H2,1-3H3,(H,12,13)/b8-4-.
What are the key properties of (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid?
(3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1,2-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 163906072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).