2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol

C15H22ClNO3 — CID 82981276

IUPAC2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
SMILESCOCC1CCN(Cc2cc(Cl)c(O)c(OC)c2)CC1
InChIInChI=1S/C15H22ClNO3/c1-19-10-11-3-5-17(6-4-11)9-12-7-13(16)15(18)14(8-12)20-2/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyDMQAPPLAYYLXJZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.91
Rot. Bonds5

About 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol

2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol (PubChem CID 82981276) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
PubChem CID82981276
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
SMILESCOCC1CCN(Cc2cc(Cl)c(O)c(OC)c2)CC1
InChIInChI=1S/C15H22ClNO3/c1-19-10-11-3-5-17(6-4-11)9-12-7-13(16)15(18)14(8-12)20-2/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyDMQAPPLAYYLXJZ-UHFFFAOYSA-N
XLogP2.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol
CID 82977569
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609
2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 97159418
[2-methoxy-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 64599663
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 65056254
ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 30727989
2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263660
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol (CID 82981276) is 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol is COCC1CCN(Cc2cc(Cl)c(O)c(OC)c2)CC1.
What is the InChIKey of 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is DMQAPPLAYYLXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-10-11-3-5-17(6-4-11)9-12-7-13(16)15(18)14(8-12)20-2/h7-8,11,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol?
2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 299.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 82981276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).