3-(1-cycloheptylpiperidin-2-yl)propanoic acid

C15H27NO2 — CID 65062233

IUPAC3-(1-cycloheptylpiperidin-2-yl)propanoic acid
SMILESO=C(O)CCC1CCCCN1C1CCCCCC1
InChIInChI=1S/C15H27NO2/c17-15(18)11-10-14-9-5-6-12-16(14)13-7-3-1-2-4-8-13/h13-14H,1-12H2,(H,17,18)
InChIKeyUNHAKSVGFXVBOU-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.43
Rot. Bonds4

About 3-(1-cycloheptylpiperidin-2-yl)propanoic acid

3-(1-cycloheptylpiperidin-2-yl)propanoic acid (PubChem CID 65062233) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(1-cycloheptylpiperidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cycloheptylpiperidin-2-yl)propanoic acid
PubChem CID65062233
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-(1-cycloheptylpiperidin-2-yl)propanoic acid
SMILESO=C(O)CCC1CCCCN1C1CCCCCC1
InChIInChI=1S/C15H27NO2/c17-15(18)11-10-14-9-5-6-12-16(14)13-7-3-1-2-4-8-13/h13-14H,1-12H2,(H,17,18)
InChIKeyUNHAKSVGFXVBOU-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
3-[1-[3-(2-methylpropyl)cyclohexyl]piperidin-2-yl]propanoic acid
CID 107430428
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
CID 84755515
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
2-(chloromethyl)-1-cycloheptylazepane
CID 116638619
3-(4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-3-yl)propanoic acid
CID 70439324
1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496
N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698

Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptylpiperidin-2-yl)propanoic acid?
The IUPAC name of 3-(1-cycloheptylpiperidin-2-yl)propanoic acid (CID 65062233) is 3-(1-cycloheptylpiperidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-cycloheptylpiperidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1-cycloheptylpiperidin-2-yl)propanoic acid is O=C(O)CCC1CCCCN1C1CCCCCC1.
What is the InChIKey of 3-(1-cycloheptylpiperidin-2-yl)propanoic acid?
The InChIKey is UNHAKSVGFXVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-15(18)11-10-14-9-5-6-12-16(14)13-7-3-1-2-4-8-13/h13-14H,1-12H2,(H,17,18).
What are the key properties of 3-(1-cycloheptylpiperidin-2-yl)propanoic acid?
3-(1-cycloheptylpiperidin-2-yl)propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cycloheptylpiperidin-2-yl)propanoic acid is sourced from PubChem (CID 65062233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).