methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate

C17H25NO3 — CID 114511061

IUPACmethyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
SMILESCCC1CN(Cc2ccccc2CC(=O)OC)CCC1O
InChIInChI=1S/C17H25NO3/c1-3-13-11-18(9-8-16(13)19)12-15-7-5-4-6-14(15)10-17(20)21-2/h4-7,13,16,19H,3,8-12H2,1-2H3
InChIKeyCWZACOMYVVOUDE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds5

About methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate

methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate (PubChem CID 114511061) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
PubChem CID114511061
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
SMILESCCC1CN(Cc2ccccc2CC(=O)OC)CCC1O
InChIInChI=1S/C17H25NO3/c1-3-13-11-18(9-8-16(13)19)12-15-7-5-4-6-14(15)10-17(20)21-2/h4-7,13,16,19H,3,8-12H2,1-2H3
InChIKeyCWZACOMYVVOUDE-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
CID 114511208
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
CID 115462600
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511185
methyl 2-[2-[(5-methyl-2-oxoazepan-1-yl)methyl]phenyl]acetate
CID 115461206
methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
methyl 2-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]benzoate
CID 98870833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate (CID 114511061) is methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate is CCC1CN(Cc2ccccc2CC(=O)OC)CCC1O.
What is the InChIKey of methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
The InChIKey is CWZACOMYVVOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-13-11-18(9-8-16(13)19)12-15-7-5-4-6-14(15)10-17(20)21-2/h4-7,13,16,19H,3,8-12H2,1-2H3.
What are the key properties of methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate has a molecular weight of 291.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 114511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).