4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid

C11H19NO2 — CID 114473275

IUPAC4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid
SMILESC=C(C)CCC1(C(=O)O)CCNCC1
InChIInChI=1S/C11H19NO2/c1-9(2)3-4-11(10(13)14)5-7-12-8-6-11/h12H,1,3-8H2,2H3,(H,13,14)
InChIKeyQSKYWSYFJXTTCA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds4

About 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid

4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid (PubChem CID 114473275) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid
PubChem CID114473275
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid
SMILESC=C(C)CCC1(C(=O)O)CCNCC1
InChIInChI=1S/C11H19NO2/c1-9(2)3-4-11(10(13)14)5-7-12-8-6-11/h12H,1,3-8H2,2H3,(H,13,14)
InChIKeyQSKYWSYFJXTTCA-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methylprop-2-enoyl)piperidine-4-carboxylic acid
CID 54033875
4-Butylpiperidine-4-carboxylic acid
CID 63129712
4-(2-Methylprop-2-enyl)piperidine-4-carboxylic acid
CID 68508624
2-Methylidene-3-piperidin-4-ylbutanoic acid
CID 89606175
2-(3-Methyl-3-piperidyl)acetic acid
CID 115012265
2-Piperidin-3-ylprop-2-enoic acid
CID 117266899
methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate
CID 156519121
(3S)-6-(methylamino)-4-methylidene-3-propylhexanoic acid
CID 163469377
5-(Piperidin-4-ylmethyl)hex-5-enoic acid
CID 167244892
5-Piperidin-4-ylhex-5-enoic acid
CID 167245030
2-[4-(2-Methylprop-2-enyl)piperidin-4-yl]acetic acid
CID 169966695
2-Piperidin-3-ylbuta-2,3-dienoic acid
CID 176520557

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid (CID 114473275) is 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid is C=C(C)CCC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid?
The InChIKey is QSKYWSYFJXTTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)3-4-11(10(13)14)5-7-12-8-6-11/h12H,1,3-8H2,2H3,(H,13,14).
What are the key properties of 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid?
4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 114473275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).