3-methyl-3-piperidin-1-yldecanoic acid

C16H31NO2 — CID 64527597

IUPAC3-methyl-3-piperidin-1-yldecanoic acid
SMILESCCCCCCCC(C)(CC(=O)O)N1CCCCC1
InChIInChI=1S/C16H31NO2/c1-3-4-5-6-8-11-16(2,14-15(18)19)17-12-9-7-10-13-17/h3-14H2,1-2H3,(H,18,19)
InChIKeyJXQWYSATHHNBRF-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.07
Rot. Bonds9

About 3-methyl-3-piperidin-1-yldecanoic acid

3-methyl-3-piperidin-1-yldecanoic acid (PubChem CID 64527597) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-yldecanoic acid.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yldecanoic acid
PubChem CID64527597
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-methyl-3-piperidin-1-yldecanoic acid
SMILESCCCCCCCC(C)(CC(=O)O)N1CCCCC1
InChIInChI=1S/C16H31NO2/c1-3-4-5-6-8-11-16(2,14-15(18)19)17-12-9-7-10-13-17/h3-14H2,1-2H3,(H,18,19)
InChIKeyJXQWYSATHHNBRF-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-3-methylhexanoic acid
CID 64527906
3-methyl-3-pyrrolidin-1-ylhexanoic acid
CID 64528524
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
3-(azepan-1-yl)-3-methyl-5-phenylpentanoic acid
CID 64528496
1-(3-methylheptan-3-yl)piperidine
CID 154999026
2-(azepan-1-yl)-2-methylundecan-3-one
CID 79050742
3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
3,3-dimethylnonanoic acid
CID 5282685
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
2-methyl-2-pyrrolidin-1-ylundecan-3-one
CID 79056598
3,3-dimethyloctanoic acid
CID 20501381
3,3-di(tridecyl)pentanedioic acid
CID 141126442

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yldecanoic acid?
The IUPAC name of 3-methyl-3-piperidin-1-yldecanoic acid (CID 64527597) is 3-methyl-3-piperidin-1-yldecanoic acid.
What is the SMILES notation for 3-methyl-3-piperidin-1-yldecanoic acid?
The canonical SMILES for 3-methyl-3-piperidin-1-yldecanoic acid is CCCCCCCC(C)(CC(=O)O)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-yldecanoic acid?
The InChIKey is JXQWYSATHHNBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-4-5-6-8-11-16(2,14-15(18)19)17-12-9-7-10-13-17/h3-14H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-3-piperidin-1-yldecanoic acid?
3-methyl-3-piperidin-1-yldecanoic acid has a molecular weight of 269.43 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-yldecanoic acid is sourced from PubChem (CID 64527597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).