3-(1-cyclooctylpiperidin-3-yl)propanoic acid

C16H29NO2 — CID 65071973

IUPAC3-(1-cyclooctylpiperidin-3-yl)propanoic acid
SMILESO=C(O)CCC1CCCN(C2CCCCCCC2)C1
InChIInChI=1S/C16H29NO2/c18-16(19)11-10-14-7-6-12-17(13-14)15-8-4-2-1-3-5-9-15/h14-15H,1-13H2,(H,18,19)
InChIKeyLVHWBWBBNHUHBY-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.68
Rot. Bonds4

About 3-(1-cyclooctylpiperidin-3-yl)propanoic acid

3-(1-cyclooctylpiperidin-3-yl)propanoic acid (PubChem CID 65071973) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-(1-cyclooctylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclooctylpiperidin-3-yl)propanoic acid
PubChem CID65071973
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-(1-cyclooctylpiperidin-3-yl)propanoic acid
SMILESO=C(O)CCC1CCCN(C2CCCCCCC2)C1
InChIInChI=1S/C16H29NO2/c18-16(19)11-10-14-7-6-12-17(13-14)15-8-4-2-1-3-5-9-15/h14-15H,1-13H2,(H,18,19)
InChIKeyLVHWBWBBNHUHBY-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64749138
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64740198
3-[1-(5-methylthiolan-3-yl)piperidin-3-yl]propanoic acid
CID 79949355
2-[(3R)-1-cyclohexylpiperidin-3-yl]ethanamine
CID 95308858
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
3-[1-[3-(2-methylpropyl)cyclohexyl]pyrrolidin-3-yl]propanoic acid
CID 107430477
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
3-(bromomethyl)-1-cyclohexylpiperidine
CID 82937353

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclooctylpiperidin-3-yl)propanoic acid?
The IUPAC name of 3-(1-cyclooctylpiperidin-3-yl)propanoic acid (CID 65071973) is 3-(1-cyclooctylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclooctylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclooctylpiperidin-3-yl)propanoic acid is O=C(O)CCC1CCCN(C2CCCCCCC2)C1.
What is the InChIKey of 3-(1-cyclooctylpiperidin-3-yl)propanoic acid?
The InChIKey is LVHWBWBBNHUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-16(19)11-10-14-7-6-12-17(13-14)15-8-4-2-1-3-5-9-15/h14-15H,1-13H2,(H,18,19).
What are the key properties of 3-(1-cyclooctylpiperidin-3-yl)propanoic acid?
3-(1-cyclooctylpiperidin-3-yl)propanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclooctylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 65071973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).