(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone

C15H21NO3 — CID 42940425

IUPAC(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H21NO3/c1-10-6-11(2)9-16(8-10)15(18)13-7-12(19-3)4-5-14(13)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3
InChIKeyFMVCYBDTEDQBSB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.52
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone

(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 42940425) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID42940425
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H21NO3/c1-10-6-11(2)9-16(8-10)15(18)13-7-12(19-3)4-5-14(13)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3
InChIKeyFMVCYBDTEDQBSB-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 115869602
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
CID 75796712
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 63909800

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone (CID 42940425) is (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is FMVCYBDTEDQBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-11(2)9-16(8-10)15(18)13-7-12(19-3)4-5-14(13)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 42940425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).