3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol

C16H24F2N4O2 — CID 174859705

IUPAC3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol
SMILESO=C(NC1CCNCC1)c1ccc(F)c(F)c1.OC1CNCCN1
InChIInChI=1S/C12H14F2N2O.C4H10N2O/c13-10-2-1-8(7-11(10)14)12(17)16-9-3-5-15-6-4-9;7-4-3-5-1-2-6-4/h1-2,7,9,15H,3-6H2,(H,16,17);4-7H,1-3H2
InChIKeyOFJFUYWNOAQZIW-UHFFFAOYSA-N
MW342.39 g/mol
LogP-0.06
Rot. Bonds2

About 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol

3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol (PubChem CID 174859705) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol.

Molecular Properties

Compound Name3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol
PubChem CID174859705
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol
SMILESO=C(NC1CCNCC1)c1ccc(F)c(F)c1.OC1CNCCN1
InChIInChI=1S/C12H14F2N2O.C4H10N2O/c13-10-2-1-8(7-11(10)14)12(17)16-9-3-5-15-6-4-9;7-4-3-5-1-2-6-4/h1-2,7,9,15H,3-6H2,(H,16,17);4-7H,1-3H2
InChIKeyOFJFUYWNOAQZIW-UHFFFAOYSA-N
XLogP-0.06
TPSA85.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol?
The IUPAC name of 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol (CID 174859705) is 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol.
What is the SMILES notation for 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol?
The canonical SMILES for 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol is O=C(NC1CCNCC1)c1ccc(F)c(F)c1.OC1CNCCN1.
What is the InChIKey of 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol?
The InChIKey is OFJFUYWNOAQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.C4H10N2O/c13-10-2-1-8(7-11(10)14)12(17)16-9-3-5-15-6-4-9;7-4-3-5-1-2-6-4/h1-2,7,9,15H,3-6H2,(H,16,17);4-7H,1-3H2.
What are the key properties of 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol?
3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol has a molecular weight of 342.39 g/mol, XLogP of -0.06, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol is sourced from PubChem (CID 174859705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).