(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone

C15H22N2O2 — CID 81457202

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCCC1CN(C(=O)c2cccc(C)c2O)CCC1N
InChIInChI=1S/C15H22N2O2/c1-3-11-9-17(8-7-13(11)16)15(19)12-6-4-5-10(2)14(12)18/h4-6,11,13,18H,3,7-9,16H2,1-2H3
InChIKeyYZSWCFIEMGTYPR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 81457202) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
PubChem CID81457202
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCCC1CN(C(=O)c2cccc(C)c2O)CCC1N
InChIInChI=1S/C15H22N2O2/c1-3-11-9-17(8-7-13(11)16)15(19)12-6-4-5-10(2)14(12)18/h4-6,11,13,18H,3,7-9,16H2,1-2H3
InChIKeyYZSWCFIEMGTYPR-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-(3-methyl-2-nitrophenyl)methanone
CID 81450867
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862298
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone (CID 81457202) is (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone is CCC1CN(C(=O)c2cccc(C)c2O)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is YZSWCFIEMGTYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-9-17(8-7-13(11)16)15(19)12-6-4-5-10(2)14(12)18/h4-6,11,13,18H,3,7-9,16H2,1-2H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.90, 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-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 81457202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).