2-methyl-2-piperidin-4-yldecanedioic acid

C16H29NO4 — CID 67134863

IUPAC2-methyl-2-piperidin-4-yldecanedioic acid
SMILESCC(CCCCCCCC(=O)O)(C(=O)O)C1CCNCC1
InChIInChI=1S/C16H29NO4/c1-16(15(20)21,13-8-11-17-12-9-13)10-6-4-2-3-5-7-14(18)19/h13,17H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyIKTGVNRFNVUPNO-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.89
Rot. Bonds10

About 2-methyl-2-piperidin-4-yldecanedioic acid

2-methyl-2-piperidin-4-yldecanedioic acid (PubChem CID 67134863) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methyl-2-piperidin-4-yldecanedioic acid.

Molecular Properties

Compound Name2-methyl-2-piperidin-4-yldecanedioic acid
PubChem CID67134863
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-methyl-2-piperidin-4-yldecanedioic acid
SMILESCC(CCCCCCCC(=O)O)(C(=O)O)C1CCNCC1
InChIInChI=1S/C16H29NO4/c1-16(15(20)21,13-8-11-17-12-9-13)10-6-4-2-3-5-7-14(18)19/h13,17H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyIKTGVNRFNVUPNO-UHFFFAOYSA-N
XLogP2.89
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
bis(hexanedioic acid);piperazine
CID 159642331
2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
CID 21225473
piperazine;tetradecanoic acid
CID 54603068
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
decanedioic acid;bis(piperidine)
CID 173189213
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-4-yldecanedioic acid?
The IUPAC name of 2-methyl-2-piperidin-4-yldecanedioic acid (CID 67134863) is 2-methyl-2-piperidin-4-yldecanedioic acid.
What is the SMILES notation for 2-methyl-2-piperidin-4-yldecanedioic acid?
The canonical SMILES for 2-methyl-2-piperidin-4-yldecanedioic acid is CC(CCCCCCCC(=O)O)(C(=O)O)C1CCNCC1.
What is the InChIKey of 2-methyl-2-piperidin-4-yldecanedioic acid?
The InChIKey is IKTGVNRFNVUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(15(20)21,13-8-11-17-12-9-13)10-6-4-2-3-5-7-14(18)19/h13,17H,2-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-piperidin-4-yldecanedioic acid?
2-methyl-2-piperidin-4-yldecanedioic acid has a molecular weight of 299.41 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-4-yldecanedioic acid is sourced from PubChem (CID 67134863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).