3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid

C17H31NO2 — CID 65059979

IUPAC3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESCC(C)C1CCC(N2CCC(CCC(=O)O)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)15-4-6-16(7-5-15)18-11-9-14(10-12-18)3-8-17(19)20/h13-16H,3-12H2,1-2H3,(H,19,20)
InChIKeyVABGDEFDROUNGQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.78
Rot. Bonds5

About 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid

3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid (PubChem CID 65059979) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
PubChem CID65059979
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESCC(C)C1CCC(N2CCC(CCC(=O)O)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)15-4-6-16(7-5-15)18-11-9-14(10-12-18)3-8-17(19)20/h13-16H,3-12H2,1-2H3,(H,19,20)
InChIKeyVABGDEFDROUNGQ-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
3-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]propanoic acid
CID 55049085
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine
CID 65089032
1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone
CID 170613842
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 65062149
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062495
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid (CID 65059979) is 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid is CC(C)C1CCC(N2CCC(CCC(=O)O)CC2)CC1.
What is the InChIKey of 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid?
The InChIKey is VABGDEFDROUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)15-4-6-16(7-5-15)18-11-9-14(10-12-18)3-8-17(19)20/h13-16H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid?
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid has a molecular weight of 281.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65059979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).