2-(1-decylpiperidin-3-yl)acetic acid

C17H33NO2 — CID 62689590

IUPAC2-(1-decylpiperidin-3-yl)acetic acid
SMILESCCCCCCCCCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-16(15-18)14-17(19)20/h16H,2-15H2,1H3,(H,19,20)
InChIKeyFBWMWQXHLBSBPY-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.31
Rot. Bonds11

About 2-(1-decylpiperidin-3-yl)acetic acid

2-(1-decylpiperidin-3-yl)acetic acid (PubChem CID 62689590) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(1-decylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-decylpiperidin-3-yl)acetic acid
PubChem CID62689590
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-(1-decylpiperidin-3-yl)acetic acid
SMILESCCCCCCCCCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-16(15-18)14-17(19)20/h16H,2-15H2,1H3,(H,19,20)
InChIKeyFBWMWQXHLBSBPY-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.31
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-ethyl-1-heptylpiperidine
CID 171569576
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-dodecylpiperidine
CID 171569666
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
CID 62691306
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073

Frequently Asked Questions

What is the IUPAC name of 2-(1-decylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-decylpiperidin-3-yl)acetic acid (CID 62689590) is 2-(1-decylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-decylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-decylpiperidin-3-yl)acetic acid is CCCCCCCCCCN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-(1-decylpiperidin-3-yl)acetic acid?
The InChIKey is FBWMWQXHLBSBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-16(15-18)14-17(19)20/h16H,2-15H2,1H3,(H,19,20).
What are the key properties of 2-(1-decylpiperidin-3-yl)acetic acid?
2-(1-decylpiperidin-3-yl)acetic acid has a molecular weight of 283.46 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-decylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 62689590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).