methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate

C16H24N2O3 — CID 91648625

IUPACmethyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(NC(C)c2cccc(O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-12(13-4-3-5-15(19)10-13)17-14-6-8-18(9-7-14)11-16(20)21-2/h3-5,10,12,14,17,19H,6-9,11H2,1-2H3
InChIKeyZJCODRHSFBLVCL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate

methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate (PubChem CID 91648625) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
PubChem CID91648625
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(NC(C)c2cccc(O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-12(13-4-3-5-15(19)10-13)17-14-6-8-18(9-7-14)11-16(20)21-2/h3-5,10,12,14,17,19H,6-9,11H2,1-2H3
InChIKeyZJCODRHSFBLVCL-UHFFFAOYSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
CID 95201002
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate (CID 91648625) is methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate is COC(=O)CN1CCC(NC(C)c2cccc(O)c2)CC1.
What is the InChIKey of methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate?
The InChIKey is ZJCODRHSFBLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(13-4-3-5-15(19)10-13)17-14-6-8-18(9-7-14)11-16(20)21-2/h3-5,10,12,14,17,19H,6-9,11H2,1-2H3.
What are the key properties of methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate?
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate is sourced from PubChem (CID 91648625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).