3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine

C15H26F2N2O — CID 156735222

IUPAC3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine
SMILESFC1(F)CC(COC2CCCN(C3CCNCC3)C2)C1
InChIInChI=1S/C15H26F2N2O/c16-15(17)8-12(9-15)11-20-14-2-1-7-19(10-14)13-3-5-18-6-4-13/h12-14,18H,1-11H2
InChIKeyIXGFSGMSKKVSAW-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.26
Rot. Bonds4

About 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine

3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine (PubChem CID 156735222) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine
PubChem CID156735222
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC Name3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine
SMILESFC1(F)CC(COC2CCCN(C3CCNCC3)C2)C1
InChIInChI=1S/C15H26F2N2O/c16-15(17)8-12(9-15)11-20-14-2-1-7-19(10-14)13-3-5-18-6-4-13/h12-14,18H,1-11H2
InChIKeyIXGFSGMSKKVSAW-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine (CID 156735222) is 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine is FC1(F)CC(COC2CCCN(C3CCNCC3)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine?
The InChIKey is IXGFSGMSKKVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c16-15(17)8-12(9-15)11-20-14-2-1-7-19(10-14)13-3-5-18-6-4-13/h12-14,18H,1-11H2.
What are the key properties of 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine?
3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine has a molecular weight of 288.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 156735222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).