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

C15H22N2O3 — CID 61094073

IUPAC(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCCC2CO)cc1N
InChIInChI=1S/C15H22N2O3/c1-2-20-14-7-6-11(9-13(14)16)15(19)17-8-4-3-5-12(17)10-18/h6-7,9,12,18H,2-5,8,10,16H2,1H3
InChIKeySWRDUPCOFNESGQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds4

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

(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 61094073) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID61094073
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCCC2CO)cc1N
InChIInChI=1S/C15H22N2O3/c1-2-20-14-7-6-11(9-13(14)16)15(19)17-8-4-3-5-12(17)10-18/h6-7,9,12,18H,2-5,8,10,16H2,1H3
InChIKeySWRDUPCOFNESGQ-UHFFFAOYSA-N
XLogP1.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
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)pyrrolidin-1-yl]methanone
CID 61411281
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
[3-amino-4-(trifluoromethoxy)phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209973
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 61094073) is (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCCC2CO)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SWRDUPCOFNESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-14-7-6-11(9-13(14)16)15(19)17-8-4-3-5-12(17)10-18/h6-7,9,12,18H,2-5,8,10,16H2,1H3.
What are the key properties of (3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.65, 4 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-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61094073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).