6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid

C15H29NO2 — CID 106714030

IUPAC6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
SMILESCC1(C)CCN(CCCCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)8-11-16(12-9-14)10-6-5-7-15(3,4)13(17)18/h5-12H2,1-4H3,(H,17,18)
InChIKeyVIFWWUFZQHUFTD-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds6

About 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid

6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid (PubChem CID 106714030) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
PubChem CID106714030
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
SMILESCC1(C)CCN(CCCCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)8-11-16(12-9-14)10-6-5-7-15(3,4)13(17)18/h5-12H2,1-4H3,(H,17,18)
InChIKeyVIFWWUFZQHUFTD-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
CID 88582619
CID 88582619
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
CID 65254899
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid?
The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid (CID 106714030) is 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid is CC1(C)CCN(CCCCC(C)(C)C(=O)O)CC1.
What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid?
The InChIKey is VIFWWUFZQHUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)8-11-16(12-9-14)10-6-5-7-15(3,4)13(17)18/h5-12H2,1-4H3,(H,17,18).
What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid?
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid is sourced from PubChem (CID 106714030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).