ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate

C15H18ClNO4 — CID 106501349

IUPACethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C15H18ClNO4/c1-2-21-15(20)10-5-7-17(8-6-10)14(19)12-9-11(18)3-4-13(12)16/h3-4,9-10,18H,2,5-8H2,1H3
InChIKeyBVAWAKRIQRZKKC-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.46
Rot. Bonds3

About ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate

ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate (PubChem CID 106501349) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
PubChem CID106501349
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Nameethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C15H18ClNO4/c1-2-21-15(20)10-5-7-17(8-6-10)14(19)12-9-11(18)3-4-13(12)16/h3-4,9-10,18H,2,5-8H2,1H3
InChIKeyBVAWAKRIQRZKKC-UHFFFAOYSA-N
XLogP2.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate (CID 106501349) is ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate?
The InChIKey is BVAWAKRIQRZKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-2-21-15(20)10-5-7-17(8-6-10)14(19)12-9-11(18)3-4-13(12)16/h3-4,9-10,18H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate has a molecular weight of 311.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 106501349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).