2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol

C17H27NO3 — CID 82957217

IUPAC2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
SMILESCCCOC1CCCN(C(C)c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C17H27NO3/c1-4-10-21-15-6-5-9-18(12-15)13(2)14-7-8-16(19)17(11-14)20-3/h7-8,11,13,15,19H,4-6,9-10,12H2,1-3H3
InChIKeyKEKCSFKZTAGYQE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.35
Rot. Bonds6

About 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol

2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol (PubChem CID 82957217) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
PubChem CID82957217
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
SMILESCCCOC1CCCN(C(C)c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C17H27NO3/c1-4-10-21-15-6-5-9-18(12-15)13(2)14-7-8-16(19)17(11-14)20-3/h7-8,11,13,15,19H,4-6,9-10,12H2,1-3H3
InChIKeyKEKCSFKZTAGYQE-UHFFFAOYSA-N
XLogP3.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82966022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol (CID 82957217) is 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol is CCCOC1CCCN(C(C)c2ccc(O)c(OC)c2)C1.
What is the InChIKey of 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol?
The InChIKey is KEKCSFKZTAGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-10-21-15-6-5-9-18(12-15)13(2)14-7-8-16(19)17(11-14)20-3/h7-8,11,13,15,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol?
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol has a molecular weight of 293.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82957217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).