(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid

C11H19NO2 — CID 117267490

IUPAC(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
SMILESCN1CCC(C/C=C\CC(=O)O)CC1
InChIInChI=1S/C11H19NO2/c1-12-8-6-10(7-9-12)4-2-3-5-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2-
InChIKeyXJLSVBMHIQDYPV-IHWYPQMZSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid

(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid (PubChem CID 117267490) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
PubChem CID117267490
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
SMILESCN1CCC(C/C=C\CC(=O)O)CC1
InChIInChI=1S/C11H19NO2/c1-12-8-6-10(7-9-12)4-2-3-5-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2-
InChIKeyXJLSVBMHIQDYPV-IHWYPQMZSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
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

4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
CID 117266148
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
CID 117267539
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
(Z)-4-(1-methylpyrrolidin-2-yl)but-3-enoic acid
CID 117267590
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine
CID 117267401
1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine
CID 170361831
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid?
The IUPAC name of (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid (CID 117267490) is (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid.
What is the SMILES notation for (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid?
The canonical SMILES for (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid is CN1CCC(C/C=C\CC(=O)O)CC1.
What is the InChIKey of (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid?
The InChIKey is XJLSVBMHIQDYPV-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-8-6-10(7-9-12)4-2-3-5-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2-.
What are the key properties of (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid?
(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid is sourced from PubChem (CID 117267490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).