(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone

C14H16Cl3NO2 — CID 112821470

IUPAC(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
SMILESCCC1CCCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)C1
InChIInChI=1S/C14H16Cl3NO2/c1-2-8-4-3-5-18(7-8)14(20)11-12(17)9(15)6-10(16)13(11)19/h6,8,19H,2-5,7H2,1H3
InChIKeyLUTTUEMNOIEVBO-UHFFFAOYSA-N
MW336.65 g/mol
LogP4.61
Rot. Bonds2

About (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone

(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone (PubChem CID 112821470) has the molecular formula C14H16Cl3NO2 and a molecular weight of 336.65 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
PubChem CID112821470
Molecular FormulaC14H16Cl3NO2
Molecular Weight336.65 g/mol
Exact Mass335.02
IUPAC Name(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
SMILESCCC1CCCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)C1
InChIInChI=1S/C14H16Cl3NO2/c1-2-8-4-3-5-18(7-8)14(20)11-12(17)9(15)6-10(16)13(11)19/h6,8,19H,2-5,7H2,1H3
InChIKeyLUTTUEMNOIEVBO-UHFFFAOYSA-N
XLogP4.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
CID 112821183
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 113347117
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone (CID 112821470) is (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone is CCC1CCCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
The InChIKey is LUTTUEMNOIEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO2/c1-2-8-4-3-5-18(7-8)14(20)11-12(17)9(15)6-10(16)13(11)19/h6,8,19H,2-5,7H2,1H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone has a molecular weight of 336.65 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 112821470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).