3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid

C14H25NO3 — CID 65068448

IUPAC3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC2CCCOC2)C1
InChIInChI=1S/C14H25NO3/c1-2-14(13(16)17)6-4-7-15(11-14)9-12-5-3-8-18-10-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeySXLZJIFGZBIMMP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds4

About 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid

3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 65068448) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
PubChem CID65068448
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC2CCCOC2)C1
InChIInChI=1S/C14H25NO3/c1-2-14(13(16)17)6-4-7-15(11-14)9-12-5-3-8-18-10-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeySXLZJIFGZBIMMP-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136471
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 63936052
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
3-methyl-1-(oxolan-3-ylmethyl)piperidin-3-ol
CID 115873758
3,3-diethyl-1-(oxan-3-ylmethyl)piperazine
CID 64952342
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 55165124
3-ethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79610477
2-methyl-1-(oxan-3-ylmethyl)piperidine-2-carboxylic acid
CID 104599286
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
1-[(5R)-9-[[(3R)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 98783278

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid (CID 65068448) is 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(CC2CCCOC2)C1.
What is the InChIKey of 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is SXLZJIFGZBIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-14(13(16)17)6-4-7-15(11-14)9-12-5-3-8-18-10-12/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid?
3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).