6-methyl-4-piperidin-1-ylheptanoic acid

C13H25NO2 — CID 112517978

IUPAC6-methyl-4-piperidin-1-ylheptanoic acid
SMILESCC(C)CC(CCC(=O)O)N1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)10-12(6-7-13(15)16)14-8-4-3-5-9-14/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyWRDWKNOBXJITGT-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds6

About 6-methyl-4-piperidin-1-ylheptanoic acid

6-methyl-4-piperidin-1-ylheptanoic acid (PubChem CID 112517978) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-methyl-4-piperidin-1-ylheptanoic acid.

Molecular Properties

Compound Name6-methyl-4-piperidin-1-ylheptanoic acid
PubChem CID112517978
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-methyl-4-piperidin-1-ylheptanoic acid
SMILESCC(C)CC(CCC(=O)O)N1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)10-12(6-7-13(15)16)14-8-4-3-5-9-14/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyWRDWKNOBXJITGT-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-pyrrolidin-1-ylheptanoic acid
CID 112517782
2-(azepan-1-yl)-4-methylpentan-1-ol
CID 104549268
(4R)-N-hydroxy-4-pyrrolidin-1-ylhexanamide
CID 131991593
N,5-dimethyl-3-piperidin-1-ylhexan-1-amine
CID 112517776
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-(2-methylpropyl)hexanedioic acid
CID 141433845
N,4-dimethyl-2-pyrrolidin-1-ylpentan-1-amine
CID 19439849
2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
CID 114866965
1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501
N-(4-methyl-2-piperidin-1-ylpentyl)-3-phenoxypropanamide
CID 110403387
3-piperidin-1-ylnonanoic acid
CID 64527594

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperidin-1-ylheptanoic acid?
The IUPAC name of 6-methyl-4-piperidin-1-ylheptanoic acid (CID 112517978) is 6-methyl-4-piperidin-1-ylheptanoic acid.
What is the SMILES notation for 6-methyl-4-piperidin-1-ylheptanoic acid?
The canonical SMILES for 6-methyl-4-piperidin-1-ylheptanoic acid is CC(C)CC(CCC(=O)O)N1CCCCC1.
What is the InChIKey of 6-methyl-4-piperidin-1-ylheptanoic acid?
The InChIKey is WRDWKNOBXJITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)10-12(6-7-13(15)16)14-8-4-3-5-9-14/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-4-piperidin-1-ylheptanoic acid?
6-methyl-4-piperidin-1-ylheptanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperidin-1-ylheptanoic acid is sourced from PubChem (CID 112517978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).