[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

C16H23NO3 — CID 111463007

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-11-10-14(20-3)4-5-15(11)16(19)17-8-6-13(7-9-17)12(2)18/h4-5,10,12-13,18H,6-9H2,1-3H3
InChIKeyWTKVMNATQAFGQB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.24
Rot. Bonds3

About [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 111463007) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID111463007
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-11-10-14(20-3)4-5-15(11)16(19)17-8-6-13(7-9-17)12(2)18/h4-5,10,12-13,18H,6-9H2,1-3H3
InChIKeyWTKVMNATQAFGQB-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-4-methoxyphenyl)methanone;hydrochloride
CID 119517181
(2-hydroxy-4-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697858
[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 125144744
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 111463007) is [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(C(C)O)CC2)c(C)c1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is WTKVMNATQAFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-10-14(20-3)4-5-15(11)16(19)17-8-6-13(7-9-17)12(2)18/h4-5,10,12-13,18H,6-9H2,1-3H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 111463007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).