(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone

C14H19ClN2O2 — CID 106499980

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
SMILESCCC1CN(C(=O)c2cc(O)ccc2Cl)CCC1N
InChIInChI=1S/C14H19ClN2O2/c1-2-9-8-17(6-5-13(9)16)14(19)11-7-10(18)3-4-12(11)15/h3-4,7,9,13,18H,2,5-6,8,16H2,1H3
InChIKeyABJYQDJURUKKNN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.24
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone (PubChem CID 106499980) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
PubChem CID106499980
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
SMILESCCC1CN(C(=O)c2cc(O)ccc2Cl)CCC1N
InChIInChI=1S/C14H19ClN2O2/c1-2-9-8-17(6-5-13(9)16)14(19)11-7-10(18)3-4-12(11)15/h3-4,7,9,13,18H,2,5-6,8,16H2,1H3
InChIKeyABJYQDJURUKKNN-UHFFFAOYSA-N
XLogP2.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862298
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(2-chloro-5-hydroxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 106502690
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106502209
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone (CID 106499980) is (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone is CCC1CN(C(=O)c2cc(O)ccc2Cl)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone?
The InChIKey is ABJYQDJURUKKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-9-8-17(6-5-13(9)16)14(19)11-7-10(18)3-4-12(11)15/h3-4,7,9,13,18H,2,5-6,8,16H2,1H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone is sourced from PubChem (CID 106499980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).