(4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone

C10H17F2N3O — CID 116991124

IUPAC(4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N3O/c11-10(12)1-5-14(6-2-10)9(16)15-7-3-13-4-8-15/h13H,1-8H2
InChIKeyKYMSQIIGSNXNIZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.74
Rot. Bonds

About (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone

(4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone (PubChem CID 116991124) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone
PubChem CID116991124
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N3O/c11-10(12)1-5-14(6-2-10)9(16)15-7-3-13-4-8-15/h13H,1-8H2
InChIKeyKYMSQIIGSNXNIZ-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone (CID 116991124) is (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone?
The InChIKey is KYMSQIIGSNXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c11-10(12)1-5-14(6-2-10)9(16)15-7-3-13-4-8-15/h13H,1-8H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone?
(4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone has a molecular weight of 233.26 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 116991124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).