2-(piperidine-1-carbonyl)phenolate

C12H14NO2- — CID 101121314

IUPAC2-(piperidine-1-carbonyl)phenolate
SMILESO=C(c1ccccc1[O-])N1CCCCC1
InChIInChI=1S/C12H15NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2/p-1
InChIKeyPRRBIQSVUGRKOU-UHFFFAOYSA-M
MW204.25 g/mol
LogP1.39
Rot. Bonds1

About 2-(piperidine-1-carbonyl)phenolate

2-(piperidine-1-carbonyl)phenolate (PubChem CID 101121314) has the molecular formula C12H14NO2- and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)phenolate.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)phenolate
PubChem CID101121314
Molecular FormulaC12H14NO2-
Molecular Weight204.25 g/mol
Exact Mass204.10
IUPAC Name2-(piperidine-1-carbonyl)phenolate
SMILESO=C(c1ccccc1[O-])N1CCCCC1
InChIInChI=1S/C12H15NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2/p-1
InChIKeyPRRBIQSVUGRKOU-UHFFFAOYSA-M
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
2-iodo-3-(pyrrolidine-1-carbonyl)benzoic acid
CID 169449836
piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
CID 101009068
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)phenolate?
The IUPAC name of 2-(piperidine-1-carbonyl)phenolate (CID 101121314) is 2-(piperidine-1-carbonyl)phenolate.
What is the SMILES notation for 2-(piperidine-1-carbonyl)phenolate?
The canonical SMILES for 2-(piperidine-1-carbonyl)phenolate is O=C(c1ccccc1[O-])N1CCCCC1.
What is the InChIKey of 2-(piperidine-1-carbonyl)phenolate?
The InChIKey is PRRBIQSVUGRKOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2/p-1.
What are the key properties of 2-(piperidine-1-carbonyl)phenolate?
2-(piperidine-1-carbonyl)phenolate has a molecular weight of 204.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)phenolate is sourced from PubChem (CID 101121314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).