3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol

C14H22N2O2 — CID 110539475

IUPAC3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccc(O)c(N)c2)C1
InChIInChI=1S/C14H22N2O2/c1-2-16-6-5-13(17)11(9-16)7-10-3-4-14(18)12(15)8-10/h3-4,8,11,13,17-18H,2,5-7,9,15H2,1H3
InChIKeyZZHMILFXNQCXMD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.22
Rot. Bonds3

About 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol

3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110539475) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110539475
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccc(O)c(N)c2)C1
InChIInChI=1S/C14H22N2O2/c1-2-16-6-5-13(17)11(9-16)7-10-3-4-14(18)12(15)8-10/h3-4,8,11,13,17-18H,2,5-7,9,15H2,1H3
InChIKeyZZHMILFXNQCXMD-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535672
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538204
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 110539475) is 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)C(Cc2ccc(O)c(N)c2)C1.
What is the InChIKey of 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is ZZHMILFXNQCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16-6-5-13(17)11(9-16)7-10-3-4-14(18)12(15)8-10/h3-4,8,11,13,17-18H,2,5-7,9,15H2,1H3.
What are the key properties of 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 250.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110539475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).