4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid

C12H22N2O3 — CID 67216799

IUPAC4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid
SMILESCN1CCCC(OC2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-6-2-3-11(9-13)17-10-4-7-14(8-5-10)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyJMFDCDFIOJFBMY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.24
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid

4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid (PubChem CID 67216799) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid
PubChem CID67216799
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid
SMILESCN1CCCC(OC2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-6-2-3-11(9-13)17-10-4-7-14(8-5-10)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyJMFDCDFIOJFBMY-UHFFFAOYSA-N
XLogP1.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid (CID 67216799) is 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid is CN1CCCC(OC2CCN(C(=O)O)CC2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is JMFDCDFIOJFBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-6-2-3-11(9-13)17-10-4-7-14(8-5-10)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid?
4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67216799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).