(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C14H19ClN2O2 — CID 63090575

IUPAC(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cc(Cl)ccc2O)C1
InChIInChI=1S/C14H19ClN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-8-10(15)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyFFGINISBUBLRQE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.21
Rot. Bonds2

About (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 63090575) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID63090575
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cc(Cl)ccc2O)C1
InChIInChI=1S/C14H19ClN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-8-10(15)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyFFGINISBUBLRQE-UHFFFAOYSA-N
XLogP2.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 63090575) is (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2cc(Cl)ccc2O)C1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is FFGINISBUBLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-8-10(15)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 282.77 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 63090575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).