2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid

C12H23NO2 — CID 62270634

IUPAC2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
SMILESCCCC(C)(CN1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-7-12(2,11(14)15)10-13-8-5-4-6-9-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyDXVNXODKIQQXBD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds5

About 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid

2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid (PubChem CID 62270634) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
PubChem CID62270634
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
SMILESCCCC(C)(CN1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-7-12(2,11(14)15)10-13-8-5-4-6-9-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyDXVNXODKIQQXBD-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-2-methylpentanoic acid
CID 114218749
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
CID 62272835
1-(azepan-1-yl)-2-methylpentan-2-ol
CID 106291182
2-methyl-2-(piperidin-1-ylmethyl)butanamide
CID 67635187
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid
CID 84656756
3-(azepan-1-yl)-3-methylhexanoic acid
CID 64527906
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
2-methyl-2-piperidin-1-ylpentanamide
CID 67908244
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylbutanoic acid
CID 62270127
1-ethylpiperidine;2,2,2-trichloroacetic acid
CID 22623631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid?
The IUPAC name of 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid (CID 62270634) is 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid is CCCC(C)(CN1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid?
The InChIKey is DXVNXODKIQQXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-7-12(2,11(14)15)10-13-8-5-4-6-9-13/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid?
2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid is sourced from PubChem (CID 62270634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).