[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate

C16H23NO3 — CID 174828234

IUPAC[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate
SMILESCCC(=O)ON1CCC(C)(c2cccc(O)c2)C(C)C1
InChIInChI=1S/C16H23NO3/c1-4-15(19)20-17-9-8-16(3,12(2)11-17)13-6-5-7-14(18)10-13/h5-7,10,12,18H,4,8-9,11H2,1-3H3
InChIKeyFZCRJHPFLKFGDO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.86
Rot. Bonds3

About [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate

[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate (PubChem CID 174828234) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate
PubChem CID174828234
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate
SMILESCCC(=O)ON1CCC(C)(c2cccc(O)c2)C(C)C1
InChIInChI=1S/C16H23NO3/c1-4-15(19)20-17-9-8-16(3,12(2)11-17)13-6-5-7-14(18)10-13/h5-7,10,12,18H,4,8-9,11H2,1-3H3
InChIKeyFZCRJHPFLKFGDO-UHFFFAOYSA-N
XLogP2.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate 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

[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] 2-methylbutanoate;toluene
CID 174692686
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-1-one
CID 54301963
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178
1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride
CID 19933912
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
ethyl 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 10408394
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
(Z)-but-2-enedioic acid;1-[3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]phenyl]propan-1-one
CID 67807798
methyl (2S)-2-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-methyl-3-phenylpropanoate;hydrochloride
CID 141350582

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate?
The IUPAC name of [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate (CID 174828234) is [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate.
What is the SMILES notation for [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate?
The canonical SMILES for [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate is CCC(=O)ON1CCC(C)(c2cccc(O)c2)C(C)C1.
What is the InChIKey of [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate?
The InChIKey is FZCRJHPFLKFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-15(19)20-17-9-8-16(3,12(2)11-17)13-6-5-7-14(18)10-13/h5-7,10,12,18H,4,8-9,11H2,1-3H3.
What are the key properties of [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate?
[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl] propanoate is sourced from PubChem (CID 174828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).