(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone

C15H21NO3 — CID 82486019

IUPAC(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(O)CC2)ccc1OC
InChIInChI=1S/C15H21NO3/c1-3-11-10-12(4-5-14(11)19-2)15(18)16-8-6-13(17)7-9-16/h4-5,10,13,17H,3,6-9H2,1-2H3
InChIKeyAYVPSMWWXRLIML-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds3

About (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone

(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 82486019) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID82486019
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(O)CC2)ccc1OC
InChIInChI=1S/C15H21NO3/c1-3-11-10-12(4-5-14(11)19-2)15(18)16-8-6-13(17)7-9-16/h4-5,10,13,17H,3,6-9H2,1-2H3
InChIKeyAYVPSMWWXRLIML-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
CID 152894287
CID 152894287
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 82486019) is (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone is CCc1cc(C(=O)N2CCC(O)CC2)ccc1OC.
What is the InChIKey of (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is AYVPSMWWXRLIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-11-10-12(4-5-14(11)19-2)15(18)16-8-6-13(17)7-9-16/h4-5,10,13,17H,3,6-9H2,1-2H3.
What are the key properties of (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 82486019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).