1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine

C14H26N2O — CID 91921258

IUPAC1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine
SMILESC1CC(C2CCN(C3CCOCC3)CC2)CN1
InChIInChI=1S/C14H26N2O/c1-6-15-11-13(1)12-2-7-16(8-3-12)14-4-9-17-10-5-14/h12-15H,1-11H2
InChIKeyYHZQGDRNRDVPIM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.49
Rot. Bonds2

About 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine

1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine (PubChem CID 91921258) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine
PubChem CID91921258
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine
SMILESC1CC(C2CCN(C3CCOCC3)CC2)CN1
InChIInChI=1S/C14H26N2O/c1-6-15-11-13(1)12-2-7-16(8-3-12)14-4-9-17-10-5-14/h12-15H,1-11H2
InChIKeyYHZQGDRNRDVPIM-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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-3-ylpiperidine?
The IUPAC name of 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine (CID 91921258) is 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine is C1CC(C2CCN(C3CCOCC3)CC2)CN1.
What is the InChIKey of 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine?
The InChIKey is YHZQGDRNRDVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-15-11-13(1)12-2-7-16(8-3-12)14-4-9-17-10-5-14/h12-15H,1-11H2.
What are the key properties of 1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine?
1-(oxan-4-yl)-4-pyrrolidin-3-ylpiperidine has a molecular weight of 238.37 g/mol, XLogP of 1.49, 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-3-ylpiperidine is sourced from PubChem (CID 91921258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).