2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol

C16H25NO3 — CID 106590288

IUPAC2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CCCC(COC)C2)ccc1O
InChIInChI=1S/C16H25NO3/c1-3-20-16-9-13(6-7-15(16)18)10-17-8-4-5-14(11-17)12-19-2/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3
InChIKeyYAHPEPNWERFZJZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.65
Rot. Bonds6

About 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol

2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol (PubChem CID 106590288) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
PubChem CID106590288
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CCCC(COC)C2)ccc1O
InChIInChI=1S/C16H25NO3/c1-3-20-16-9-13(6-7-15(16)18)10-17-8-4-5-14(11-17)12-19-2/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3
InChIKeyYAHPEPNWERFZJZ-UHFFFAOYSA-N
XLogP2.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 95719824
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
CID 113235650
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980462
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45240140
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
[(3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 26406741

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol (CID 106590288) is 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol is CCOc1cc(CN2CCCC(COC)C2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is YAHPEPNWERFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-20-16-9-13(6-7-15(16)18)10-17-8-4-5-14(11-17)12-19-2/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 106590288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).