6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine

C14H22F2N2 — CID 126709115

IUPAC6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC(CN2CCC(F)(F)CC2)=CCC1
InChIInChI=1S/C14H22F2N2/c1-11(2)13-5-3-4-12(17-13)10-18-8-6-14(15,16)7-9-18/h4,11H,3,5-10H2,1-2H3
InChIKeyWVKGPHBQOSKIAP-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.49
Rot. Bonds3

About 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine

6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine (PubChem CID 126709115) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine
PubChem CID126709115
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC(CN2CCC(F)(F)CC2)=CCC1
InChIInChI=1S/C14H22F2N2/c1-11(2)13-5-3-4-12(17-13)10-18-8-6-14(15,16)7-9-18/h4,11H,3,5-10H2,1-2H3
InChIKeyWVKGPHBQOSKIAP-UHFFFAOYSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine (CID 126709115) is 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine is CC(C)C1=NC(CN2CCC(F)(F)CC2)=CCC1.
What is the InChIKey of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is WVKGPHBQOSKIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-11(2)13-5-3-4-12(17-13)10-18-8-6-14(15,16)7-9-18/h4,11H,3,5-10H2,1-2H3.
What are the key properties of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine?
6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 256.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 126709115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).