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

C14H27NO2 — CID 142749143

IUPAC2-(1-propylpiperidin-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)C1CCN(CCC)CC1
InChIInChI=1S/C14H27NO2/c1-3-5-6-13(14(16)17)12-7-10-15(9-4-2)11-8-12/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyYQDYWVJVPJSITP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds7

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

2-(1-propylpiperidin-4-yl)hexanoic acid (PubChem CID 142749143) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(1-propylpiperidin-4-yl)hexanoic acid.

Molecular Properties

Compound Name2-(1-propylpiperidin-4-yl)hexanoic acid
PubChem CID142749143
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(1-propylpiperidin-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)C1CCN(CCC)CC1
InChIInChI=1S/C14H27NO2/c1-3-5-6-13(14(16)17)12-7-10-15(9-4-2)11-8-12/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyYQDYWVJVPJSITP-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
2-cyclobutylhexanoic acid
CID 102568246
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-[1-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-4-yl]hexanoic acid
CID 142749390
2-cyclopentyltridecanoic acid
CID 22665117
CID 174928975
CID 174928975
2-cyclohexyldecanoic acid
CID 19004831
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]hexanoic acid;dihydrochloride
CID 142749256
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid
CID 142749397
2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid;hydrochloride
CID 142749278

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperidin-4-yl)hexanoic acid?
The IUPAC name of 2-(1-propylpiperidin-4-yl)hexanoic acid (CID 142749143) is 2-(1-propylpiperidin-4-yl)hexanoic acid.
What is the SMILES notation for 2-(1-propylpiperidin-4-yl)hexanoic acid?
The canonical SMILES for 2-(1-propylpiperidin-4-yl)hexanoic acid is CCCCC(C(=O)O)C1CCN(CCC)CC1.
What is the InChIKey of 2-(1-propylpiperidin-4-yl)hexanoic acid?
The InChIKey is YQDYWVJVPJSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-6-13(14(16)17)12-7-10-15(9-4-2)11-8-12/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-propylpiperidin-4-yl)hexanoic acid?
2-(1-propylpiperidin-4-yl)hexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperidin-4-yl)hexanoic acid is sourced from PubChem (CID 142749143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).