(4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone

C14H24F2N2O — CID 131949837

IUPAC(4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone
SMILESCC(C)N1CCCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H24F2N2O/c1-11(2)18-7-3-4-12(10-18)13(19)17-8-5-14(15,16)6-9-17/h11-12H,3-10H2,1-2H3
InChIKeyHZXULJFYHGHBAH-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone (PubChem CID 131949837) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone
PubChem CID131949837
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone
SMILESCC(C)N1CCCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H24F2N2O/c1-11(2)18-7-3-4-12(10-18)13(19)17-8-5-14(15,16)6-9-17/h11-12H,3-10H2,1-2H3
InChIKeyHZXULJFYHGHBAH-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone (CID 131949837) is (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone is CC(C)N1CCCC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone?
The InChIKey is HZXULJFYHGHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-11(2)18-7-3-4-12(10-18)13(19)17-8-5-14(15,16)6-9-17/h11-12H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone has a molecular weight of 274.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 131949837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).