(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid

C10H17NO2 — CID 117267539

IUPAC(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
SMILESCN1CCCC(/C=C\CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-11-7-3-5-9(8-11)4-2-6-10(12)13/h2,4,9H,3,5-8H2,1H3,(H,12,13)/b4-2-
InChIKeyNTXVYQRMGUBNDI-RQOWECAXSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

About (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid

(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid (PubChem CID 117267539) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
PubChem CID117267539
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
SMILESCN1CCCC(/C=C\CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-11-7-3-5-9(8-11)4-2-6-10(12)13/h2,4,9H,3,5-8H2,1H3,(H,12,13)/b4-2-
InChIKeyNTXVYQRMGUBNDI-RQOWECAXSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid 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

(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
CID 115020259
(Z)-4-(1-methylpyrrolidin-2-yl)but-3-enoic acid
CID 117267590
(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
CID 117267511
methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
CID 117266160
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-[(Z)-3-(1-methylpiperidin-3-yl)prop-2-enyl]piperazine
CID 117269290
(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
CID 117267490
(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
CID 117266106
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
2-(1-methylpiperidin-3-yl)sulfanylacetic acid
CID 116853663
(E)-4-(oxetan-3-yl)but-3-enoic acid
CID 174180839
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid?
The IUPAC name of (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid (CID 117267539) is (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid.
What is the SMILES notation for (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid?
The canonical SMILES for (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid is CN1CCCC(/C=C\CC(=O)O)C1.
What is the InChIKey of (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid?
The InChIKey is NTXVYQRMGUBNDI-RQOWECAXSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-3-5-9(8-11)4-2-6-10(12)13/h2,4,9H,3,5-8H2,1H3,(H,12,13)/b4-2-.
What are the key properties of (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid?
(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid is sourced from PubChem (CID 117267539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).