2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol

C14H21ClN2O — CID 115907050

IUPAC2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1CN(C)CCC1NCc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O/c1-10-9-17(2)7-6-13(10)16-8-11-4-3-5-12(15)14(11)18/h3-5,10,13,16,18H,6-9H2,1-2H3
InChIKeyRQYWRUYMOOATMG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.48
Rot. Bonds3

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

2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 115907050) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
PubChem CID115907050
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1CN(C)CCC1NCc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O/c1-10-9-17(2)7-6-13(10)16-8-11-4-3-5-12(15)14(11)18/h3-5,10,13,16,18H,6-9H2,1-2H3
InChIKeyRQYWRUYMOOATMG-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
2-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 113338430
1,3-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine
CID 114503511
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 115619138
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 112553641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol (CID 115907050) is 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol is CC1CN(C)CCC1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is RQYWRUYMOOATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-9-17(2)7-6-13(10)16-8-11-4-3-5-12(15)14(11)18/h3-5,10,13,16,18H,6-9H2,1-2H3.
What are the key properties of 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol?
2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 268.79 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 115907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).