piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone

C12H15NO4 — CID 139689165

IUPACpiperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(O)c1O)N1CCCCC1
InChIInChI=1S/C12H15NO4/c14-9-5-4-8(10(15)11(9)16)12(17)13-6-2-1-3-7-13/h4-5,14-16H,1-3,6-7H2
InChIKeyMNIHUWXZZNVRFU-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.43
Rot. Bonds1

About piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone

piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone (PubChem CID 139689165) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone
PubChem CID139689165
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namepiperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(O)c1O)N1CCCCC1
InChIInChI=1S/C12H15NO4/c14-9-5-4-8(10(15)11(9)16)12(17)13-6-2-1-3-7-13/h4-5,14-16H,1-3,6-7H2
InChIKeyMNIHUWXZZNVRFU-UHFFFAOYSA-N
XLogP1.43
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone
CID 151443573
(8-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 660137
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114343086
(2-chloro-3,4-dihydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 19880175
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103
(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114343719
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone?
The IUPAC name of piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone (CID 139689165) is piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone.
What is the SMILES notation for piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone?
The canonical SMILES for piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone is O=C(c1ccc(O)c(O)c1O)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone?
The InChIKey is MNIHUWXZZNVRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-5-4-8(10(15)11(9)16)12(17)13-6-2-1-3-7-13/h4-5,14-16H,1-3,6-7H2.
What are the key properties of piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone?
piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone has a molecular weight of 237.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone is sourced from PubChem (CID 139689165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).