4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid

C12H23NO3 — CID 106454824

IUPAC4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
SMILESCCCOCCN1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-7-16-8-6-13-5-4-10(2)9-11(13)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyFAVRLDNPPDCPGW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid

4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid (PubChem CID 106454824) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
PubChem CID106454824
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
SMILESCCCOCCN1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-7-16-8-6-13-5-4-10(2)9-11(13)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyFAVRLDNPPDCPGW-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(2-propoxyethyl)azepane-2-carboxylic acid
CID 106454718
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454831
1-[2-(3,5-dimethylphenoxy)ethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426275
1-but-3-ynyl-4-methylpiperidine-2-carboxylic acid
CID 114426543
1-[3-(dimethylamino)-3-oxopropyl]-4-methylpiperidine-2-carboxylic acid
CID 114426324
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
1-(cyanomethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426250
1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid
CID 114426636
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid (CID 106454824) is 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid is CCCOCCN1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid?
The InChIKey is FAVRLDNPPDCPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-7-16-8-6-13-5-4-10(2)9-11(13)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid?
4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 106454824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).