4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol

C14H21ClN2O — CID 79032255

IUPAC4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1CC(NCc2cc(Cl)ccc2O)CCN1C
InChIInChI=1S/C14H21ClN2O/c1-10-7-13(5-6-17(10)2)16-9-11-8-12(15)3-4-14(11)18/h3-4,8,10,13,16,18H,5-7,9H2,1-2H3
InChIKeyCBBLCKFJKAFMDF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol

4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 79032255) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
PubChem CID79032255
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1CC(NCc2cc(Cl)ccc2O)CCN1C
InChIInChI=1S/C14H21ClN2O/c1-10-7-13(5-6-17(10)2)16-9-11-8-12(15)3-4-14(11)18/h3-4,8,10,13,16,18H,5-7,9H2,1-2H3
InChIKeyCBBLCKFJKAFMDF-UHFFFAOYSA-N
XLogP2.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 80711280
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770
N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 106263639
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260585
4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278120
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine
CID 81343630
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
4,5-difluoro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 138048351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol (CID 79032255) is 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol is CC1CC(NCc2cc(Cl)ccc2O)CCN1C.
What is the InChIKey of 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is CBBLCKFJKAFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-7-13(5-6-17(10)2)16-9-11-8-12(15)3-4-14(11)18/h3-4,8,10,13,16,18H,5-7,9H2,1-2H3.
What are the key properties of 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol?
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 268.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 79032255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).