2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol

C13H19ClN2O — CID 107678243

IUPAC2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
SMILESCN1CCCCC1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-16-7-3-2-4-11(16)9-15-10-5-6-13(17)12(14)8-10/h5-6,8,11,15,17H,2-4,7,9H2,1H3
InChIKeyATDKMCNYTGHDCJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol

2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol (PubChem CID 107678243) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
PubChem CID107678243
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
SMILESCN1CCCCC1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-16-7-3-2-4-11(16)9-15-10-5-6-13(17)12(14)8-10/h5-6,8,11,15,17H,2-4,7,9H2,1H3
InChIKeyATDKMCNYTGHDCJ-UHFFFAOYSA-N
XLogP2.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
tert-butyl 2-[(3-chloro-4-hydroxyanilino)methyl]pyrrolidine-1-carboxylate
CID 107678338
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol?
The IUPAC name of 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol (CID 107678243) is 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol.
What is the SMILES notation for 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol?
The canonical SMILES for 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol is CN1CCCCC1CNc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol?
The InChIKey is ATDKMCNYTGHDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-7-3-2-4-11(16)9-15-10-5-6-13(17)12(14)8-10/h5-6,8,11,15,17H,2-4,7,9H2,1H3.
What are the key properties of 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol?
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol has a molecular weight of 254.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol is sourced from PubChem (CID 107678243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).