4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol

C14H21ClN2O2 — CID 104646165

IUPAC4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNC2CCCN(C)C2)c1O
InChIInChI=1S/C14H21ClN2O2/c1-17-5-3-4-12(9-17)16-8-10-6-11(15)7-13(19-2)14(10)18/h6-7,12,16,18H,3-5,8-9H2,1-2H3
InChIKeyWPDIWFNVPHYGKM-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.24
Rot. Bonds4

About 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol

4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol (PubChem CID 104646165) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
PubChem CID104646165
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNC2CCCN(C)C2)c1O
InChIInChI=1S/C14H21ClN2O2/c1-17-5-3-4-12(9-17)16-8-10-6-11(15)7-13(19-2)14(10)18/h6-7,12,16,18H,3-5,8-9H2,1-2H3
InChIKeyWPDIWFNVPHYGKM-UHFFFAOYSA-N
XLogP2.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]cycloheptan-1-ol
CID 104664000
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968
4-chloro-2-methoxy-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 104646371
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104663909
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
CID 104640025
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 104663878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol (CID 104646165) is 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol is COc1cc(Cl)cc(CNC2CCCN(C)C2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
The InChIKey is WPDIWFNVPHYGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-17-5-3-4-12(9-17)16-8-10-6-11(15)7-13(19-2)14(10)18/h6-7,12,16,18H,3-5,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol has a molecular weight of 284.79 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 104646165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).