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

C14H20ClNO3 — CID 104640025

IUPAC4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
SMILESCOc1cc(Cl)cc(CN2CCC(OC)CC2)c1O
InChIInChI=1S/C14H20ClNO3/c1-18-12-3-5-16(6-4-12)9-10-7-11(15)8-13(19-2)14(10)17/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyUYMKMSCXSJPZPJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.66
Rot. Bonds4

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

4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol (PubChem CID 104640025) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
PubChem CID104640025
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
SMILESCOc1cc(Cl)cc(CN2CCC(OC)CC2)c1O
InChIInChI=1S/C14H20ClNO3/c1-18-12-3-5-16(6-4-12)9-10-7-11(15)8-13(19-2)14(10)17/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyUYMKMSCXSJPZPJ-UHFFFAOYSA-N
XLogP2.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol
CID 104666523
4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 104666562
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]cycloheptan-1-ol
CID 104664000
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 104646165
2-[1-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659926
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065574
4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 104663878
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol (CID 104640025) is 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol is COc1cc(Cl)cc(CN2CCC(OC)CC2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol?
The InChIKey is UYMKMSCXSJPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-12-3-5-16(6-4-12)9-10-7-11(15)8-13(19-2)14(10)17/h7-8,12,17H,3-6,9H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol?
4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol has a molecular weight of 285.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 104640025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).