1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine

C14H26N2O — CID 63256212

IUPAC1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine
SMILESC1CNC(C2CCN(C3CCOCC3)CC2)C1
InChIInChI=1S/C14H26N2O/c1-2-14(15-7-1)12-3-8-16(9-4-12)13-5-10-17-11-6-13/h12-15H,1-11H2
InChIKeyGSIMFLYITLUZJS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds2

About 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine

1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 63256212) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine
PubChem CID63256212
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine
SMILESC1CNC(C2CCN(C3CCOCC3)CC2)C1
InChIInChI=1S/C14H26N2O/c1-2-14(15-7-1)12-3-8-16(9-4-12)13-5-10-17-11-6-13/h12-15H,1-11H2
InChIKeyGSIMFLYITLUZJS-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine (CID 63256212) is 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine is C1CNC(C2CCN(C3CCOCC3)CC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is GSIMFLYITLUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-14(15-7-1)12-3-8-16(9-4-12)13-5-10-17-11-6-13/h12-15H,1-11H2.
What are the key properties of 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine?
1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).