3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid

C18H33NO2 — CID 65062639

IUPAC3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESCC(C)(C)C1CCCCC1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)15-6-4-5-7-16(15)19-12-10-14(11-13-19)8-9-17(20)21/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyAFPGFRJYPHQMCV-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds4

About 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid

3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid (PubChem CID 65062639) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid
PubChem CID65062639
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESCC(C)(C)C1CCCCC1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)15-6-4-5-7-16(15)19-12-10-14(11-13-19)8-9-17(20)21/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyAFPGFRJYPHQMCV-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]-N-methylmethanamine
CID 63250850
1-(2-tert-butylcyclohexyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115306973
3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 114240730
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid
CID 79862181
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
CID 79606528
3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 65062149

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid (CID 65062639) is 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid is CC(C)(C)C1CCCCC1N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid?
The InChIKey is AFPGFRJYPHQMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-18(2,3)15-6-4-5-7-16(15)19-12-10-14(11-13-19)8-9-17(20)21/h14-16H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid?
3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid has a molecular weight of 295.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).