1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol

C15H24N2O2 — CID 114678030

IUPAC1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCOc2cccc(CN)c2)CCC1O
InChIInChI=1S/C15H24N2O2/c1-12-11-17(6-5-15(12)18)7-8-19-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3
InChIKeyZFAZSBROBWMODF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol

1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol (PubChem CID 114678030) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
PubChem CID114678030
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCOc2cccc(CN)c2)CCC1O
InChIInChI=1S/C15H24N2O2/c1-12-11-17(6-5-15(12)18)7-8-19-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3
InChIKeyZFAZSBROBWMODF-UHFFFAOYSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol (CID 114678030) is 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol is CC1CN(CCOc2cccc(CN)c2)CCC1O.
What is the InChIKey of 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol?
The InChIKey is ZFAZSBROBWMODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-11-17(6-5-15(12)18)7-8-19-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3.
What are the key properties of 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol?
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).