4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid

C14H27NO2 — CID 124575065

IUPAC4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid
SMILESCC(C)CC[C@H]1CCCCN1CCCC(=O)O
InChIInChI=1S/C14H27NO2/c1-12(2)8-9-13-6-3-4-10-15(13)11-5-7-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyLDKSQQBAEHUTMG-CYBMUJFWSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds7

About 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid

4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid (PubChem CID 124575065) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid
PubChem CID124575065
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid
SMILESCC(C)CC[C@H]1CCCCN1CCCC(=O)O
InChIInChI=1S/C14H27NO2/c1-12(2)8-9-13-6-3-4-10-15(13)11-5-7-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyLDKSQQBAEHUTMG-CYBMUJFWSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid (CID 124575065) is 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid is CC(C)CC[C@H]1CCCCN1CCCC(=O)O.
What is the InChIKey of 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid?
The InChIKey is LDKSQQBAEHUTMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)8-9-13-6-3-4-10-15(13)11-5-7-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid?
4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(3-methylbutyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 124575065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).