2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid

C18H33NO2 — CID 83199295

IUPAC2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC1(C)CCCC(N2CCCC(C(C)(C)C(=O)O)C2)CC1
InChIInChI=1S/C18H33NO2/c1-17(2)10-5-8-15(9-11-17)19-12-6-7-14(13-19)18(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21)
InChIKeyWZOFTIHLVAEJFI-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds3

About 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83199295) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83199295
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC1(C)CCCC(N2CCCC(C(C)(C)C(=O)O)C2)CC1
InChIInChI=1S/C18H33NO2/c1-17(2)10-5-8-15(9-11-17)19-12-6-7-14(13-19)18(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21)
InChIKeyWZOFTIHLVAEJFI-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
CID 83198549
2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
CID 83198680
3-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]butanoic acid
CID 81047701
2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199312
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-[(1-hydroxycyclohexyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198071
2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83199276
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83199295) is 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid is CC1(C)CCCC(N2CCCC(C(C)(C)C(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is WZOFTIHLVAEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2)10-5-8-15(9-11-17)19-12-6-7-14(13-19)18(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 295.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83199295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).