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

C15H23ClN2O — CID 112553641

IUPAC2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
SMILESCN1CCC(CN(C)Cc2cccc(Cl)c2O)CC1
InChIInChI=1S/C15H23ClN2O/c1-17-8-6-12(7-9-17)10-18(2)11-13-4-3-5-14(16)15(13)19/h3-5,12,19H,6-11H2,1-2H3
InChIKeyUQZYIHYTRNGPTQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.82
Rot. Bonds4

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

2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol (PubChem CID 112553641) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
PubChem CID112553641
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
SMILESCN1CCC(CN(C)Cc2cccc(Cl)c2O)CC1
InChIInChI=1S/C15H23ClN2O/c1-17-8-6-12(7-9-17)10-18(2)11-13-4-3-5-14(16)15(13)19/h3-5,12,19H,6-11H2,1-2H3
InChIKeyUQZYIHYTRNGPTQ-UHFFFAOYSA-N
XLogP2.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 112616281
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
2-fluoro-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115572
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
CID 63236813
2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 115907050
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol (CID 112553641) is 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol is CN1CCC(CN(C)Cc2cccc(Cl)c2O)CC1.
What is the InChIKey of 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The InChIKey is UQZYIHYTRNGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-8-6-12(7-9-17)10-18(2)11-13-4-3-5-14(16)15(13)19/h3-5,12,19H,6-11H2,1-2H3.
What are the key properties of 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol has a molecular weight of 282.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 112553641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).