4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid

C15H27NO3 — CID 83061533

IUPAC4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
SMILESCCCC1CCCCN1CC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H27NO3/c1-2-5-13-6-3-4-9-16(13)12-15(14(17)18)7-10-19-11-8-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeySTIHAAVFQJADOV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid

4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid (PubChem CID 83061533) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
PubChem CID83061533
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
SMILESCCCC1CCCCN1CC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H27NO3/c1-2-5-13-6-3-4-9-16(13)12-15(14(17)18)7-10-19-11-8-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeySTIHAAVFQJADOV-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxane-4-carboxylic acid
CID 62888173
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 83045767
4-[(2-methylazetidin-1-yl)methyl]oxane-4-carboxylic acid
CID 115440671
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxane-4-carboxylic acid
CID 82752836
3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271543
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737
1-[(3-ethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62272325
1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 104751033
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid (CID 83061533) is 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid is CCCC1CCCCN1CC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid?
The InChIKey is STIHAAVFQJADOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-5-13-6-3-4-9-16(13)12-15(14(17)18)7-10-19-11-8-15/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid?
4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 83061533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).