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

C15H23ClN2O2 — CID 104666562

IUPAC4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
SMILESCNC1(C)CCN(Cc2cc(Cl)cc(OC)c2O)CC1
InChIInChI=1S/C15H23ClN2O2/c1-15(17-2)4-6-18(7-5-15)10-11-8-12(16)9-13(20-3)14(11)19/h8-9,17,19H,4-7,10H2,1-3H3
InChIKeyADJXVOFBDGJSTR-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.63
Rot. Bonds4

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

4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol (PubChem CID 104666562) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
PubChem CID104666562
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
SMILESCNC1(C)CCN(Cc2cc(Cl)cc(OC)c2O)CC1
InChIInChI=1S/C15H23ClN2O2/c1-15(17-2)4-6-18(7-5-15)10-11-8-12(16)9-13(20-3)14(11)19/h8-9,17,19H,4-7,10H2,1-3H3
InChIKeyADJXVOFBDGJSTR-UHFFFAOYSA-N
XLogP2.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.63
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

4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
CID 104640025
2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol
CID 104666523
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304079
2-[1-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659926
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305379
1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305464
9-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 74233749
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
CID 105414681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol (CID 104666562) is 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol is CNC1(C)CCN(Cc2cc(Cl)cc(OC)c2O)CC1.
What is the InChIKey of 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is ADJXVOFBDGJSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(17-2)4-6-18(7-5-15)10-11-8-12(16)9-13(20-3)14(11)19/h8-9,17,19H,4-7,10H2,1-3H3.
What are the key properties of 4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 298.81 g/mol, XLogP of 2.63, 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-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 104666562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).