1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid

C12H21NO3 — CID 43441213

IUPAC1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CC1CCCCO1
InChIInChI=1S/C12H21NO3/c14-12(15)11-6-1-3-7-13(11)9-10-5-2-4-8-16-10/h10-11H,1-9H2,(H,14,15)
InChIKeyGRDNLKVTGQDFGJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds3

About 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid

1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 43441213) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID43441213
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CC1CCCCO1
InChIInChI=1S/C12H21NO3/c14-12(15)11-6-1-3-7-13(11)9-10-5-2-4-8-16-10/h10-11H,1-9H2,(H,14,15)
InChIKeyGRDNLKVTGQDFGJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid (CID 43441213) is 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is GRDNLKVTGQDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-12(15)11-6-1-3-7-13(11)9-10-5-2-4-8-16-10/h10-11H,1-9H2,(H,14,15).
What are the key properties of 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid?
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43441213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).