4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol

C17H28N2O2 — CID 80550597

IUPAC4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
SMILESCCNCC1CCN(C(C)c2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-18-12-14-7-9-19(10-8-14)13(2)15-5-6-16(20)17(11-15)21-3/h5-6,11,13-14,18,20H,4,7-10,12H2,1-3H3
InChIKeySOFZOAUQXINLEM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.78
Rot. Bonds6

About 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol

4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol (PubChem CID 80550597) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
PubChem CID80550597
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
SMILESCCNCC1CCN(C(C)c2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-18-12-14-7-9-19(10-8-14)13(2)15-5-6-16(20)17(11-15)21-3/h5-6,11,13-14,18,20H,4,7-10,12H2,1-3H3
InChIKeySOFZOAUQXINLEM-UHFFFAOYSA-N
XLogP2.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol (CID 80550597) is 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol is CCNCC1CCN(C(C)c2ccc(O)c(OC)c2)CC1.
What is the InChIKey of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol?
The InChIKey is SOFZOAUQXINLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18-12-14-7-9-19(10-8-14)13(2)15-5-6-16(20)17(11-15)21-3/h5-6,11,13-14,18,20H,4,7-10,12H2,1-3H3.
What are the key properties of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol?
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol has a molecular weight of 292.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol is sourced from PubChem (CID 80550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).