2-(1-methylpiperidin-4-yl)hexanoic acid

C12H23NO2 — CID 174928941

IUPAC2-(1-methylpiperidin-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)C1CCN(C)CC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-11(12(14)15)10-6-8-13(2)9-7-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyWPMPIAJTVAKQRG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)hexanoic acid

2-(1-methylpiperidin-4-yl)hexanoic acid (PubChem CID 174928941) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)hexanoic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)hexanoic acid
PubChem CID174928941
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(1-methylpiperidin-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)C1CCN(C)CC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-11(12(14)15)10-6-8-13(2)9-7-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyWPMPIAJTVAKQRG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
2-cyclobutylhexanoic acid
CID 102568246
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclohexyldecanoic acid
CID 19004831
3-(azepan-1-yl)-2-(1-methylpiperidin-4-yl)propanoic acid
CID 117239593
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid
CID 142749397
2-[1-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-4-yl]hexanoic acid
CID 142749390
(2S)-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]hexanoic acid
CID 107146078
2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid;hydrochloride
CID 142749278

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)hexanoic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)hexanoic acid (CID 174928941) is 2-(1-methylpiperidin-4-yl)hexanoic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)hexanoic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)hexanoic acid is CCCCC(C(=O)O)C1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)hexanoic acid?
The InChIKey is WPMPIAJTVAKQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-11(12(14)15)10-6-8-13(2)9-7-10/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-methylpiperidin-4-yl)hexanoic acid?
2-(1-methylpiperidin-4-yl)hexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)hexanoic acid is sourced from PubChem (CID 174928941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).