2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

C16H30N2O2 — CID 65248275

IUPAC2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(C)(CCN1CCC(N2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C16H30N2O2/c1-16(2,15(19)20)8-13-17-11-6-14(7-12-17)18-9-4-3-5-10-18/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyRWAIGRKMIIMSHS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.44
Rot. Bonds5

About 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 65248275) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID65248275
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(C)(CCN1CCC(N2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C16H30N2O2/c1-16(2,15(19)20)8-13-17-11-6-14(7-12-17)18-9-4-3-5-10-18/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyRWAIGRKMIIMSHS-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 64679336
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
CID 65248276
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
CID 174708967
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
CID 61387313

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (CID 65248275) is 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is CC(C)(CCN1CCC(N2CCCCC2)CC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is RWAIGRKMIIMSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,15(19)20)8-13-17-11-6-14(7-12-17)18-9-4-3-5-10-18/h14H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 65248275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).