4-(4-butylpiperidin-1-yl)pentanoic acid

C14H27NO2 — CID 174440246

IUPAC4-(4-butylpiperidin-1-yl)pentanoic acid
SMILESCCCCC1CCN(C(C)CCC(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-3-4-5-13-8-10-15(11-9-13)12(2)6-7-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyZSXXLKJFPOMEBS-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds7

About 4-(4-butylpiperidin-1-yl)pentanoic acid

4-(4-butylpiperidin-1-yl)pentanoic acid (PubChem CID 174440246) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-(4-butylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(4-butylpiperidin-1-yl)pentanoic acid
PubChem CID174440246
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-(4-butylpiperidin-1-yl)pentanoic acid
SMILESCCCCC1CCN(C(C)CCC(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-3-4-5-13-8-10-15(11-9-13)12(2)6-7-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyZSXXLKJFPOMEBS-UHFFFAOYSA-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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Related Compounds

4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanoic acid
CID 62213634
2-[1-(6,6,6-trifluorohexan-2-yl)piperidin-4-yl]acetic acid
CID 116536242
1-hexan-2-ylpiperidine-4-carboxamide
CID 144857374
N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide
CID 142907696
4-octyl-1-propan-2-ylpiperidine
CID 167231286
9-cyclopropyl-4-methylnonanoic acid
CID 142774647
5-(1-ethylpiperidin-4-yl)pentanoic acid
CID 165463146
3-[1-(3-methylbutylsulfonyl)piperidin-4-yl]propanoic acid
CID 63855675
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 4-(4-butylpiperidin-1-yl)pentanoic acid (CID 174440246) is 4-(4-butylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-(4-butylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 4-(4-butylpiperidin-1-yl)pentanoic acid is CCCCC1CCN(C(C)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-butylpiperidin-1-yl)pentanoic acid?
The InChIKey is ZSXXLKJFPOMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-13-8-10-15(11-9-13)12(2)6-7-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-butylpiperidin-1-yl)pentanoic acid?
4-(4-butylpiperidin-1-yl)pentanoic 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-(4-butylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 174440246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).