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

C14H21ClN2O — CID 113282904

IUPAC2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
SMILESCNC1(C)CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-14(16-2)5-7-17(8-6-14)10-11-3-4-13(18)12(15)9-11/h3-4,9,16,18H,5-8,10H2,1-2H3
InChIKeyPFWUENHWOAOZSB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.62
Rot. Bonds3

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

2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol (PubChem CID 113282904) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
PubChem CID113282904
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
SMILESCNC1(C)CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-14(16-2)5-7-17(8-6-14)10-11-3-4-13(18)12(15)9-11/h3-4,9,16,18H,5-8,10H2,1-2H3
InChIKeyPFWUENHWOAOZSB-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

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Related Compounds

2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113283047
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
1-[(2,6-dichlorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304191
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061313
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
2-chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82979240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol (CID 113282904) is 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol is CNC1(C)CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is PFWUENHWOAOZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(16-2)5-7-17(8-6-14)10-11-3-4-13(18)12(15)9-11/h3-4,9,16,18H,5-8,10H2,1-2H3.
What are the key properties of 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol?
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]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 2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 113282904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).