(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H24N2O3 — CID 61091912

IUPAC(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCCC2CCO)cc1N
InChIInChI=1S/C16H24N2O3/c1-2-21-15-7-6-12(11-14(15)17)16(20)18-9-4-3-5-13(18)8-10-19/h6-7,11,13,19H,2-5,8-10,17H2,1H3
InChIKeyAVIWFKWSVXLINA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds5

About (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 61091912) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID61091912
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCCC2CCO)cc1N
InChIInChI=1S/C16H24N2O3/c1-2-21-15-7-6-12(11-14(15)17)16(20)18-9-4-3-5-13(18)8-10-19/h6-7,11,13,19H,2-5,8-10,17H2,1H3
InChIKeyAVIWFKWSVXLINA-UHFFFAOYSA-N
XLogP2.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091726
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 61091912) is (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCCC2CCO)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is AVIWFKWSVXLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-15-7-6-12(11-14(15)17)16(20)18-9-4-3-5-13(18)8-10-19/h6-7,11,13,19H,2-5,8-10,17H2,1H3.
What are the key properties of (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61091912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).