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

C14H21ClN2O — CID 83006911

IUPAC2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol
SMILESCC1CCCC(C)N1NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-4-3-5-11(2)17(10)16-9-12-6-7-14(18)13(15)8-12/h6-8,10-11,16,18H,3-5,9H2,1-2H3
InChIKeyYPKCRSVPEKAOPZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.31
Rot. Bonds3

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

2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol (PubChem CID 83006911) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol
PubChem CID83006911
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol
SMILESCC1CCCC(C)N1NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-4-3-5-11(2)17(10)16-9-12-6-7-14(18)13(15)8-12/h6-8,10-11,16,18H,3-5,9H2,1-2H3
InChIKeyYPKCRSVPEKAOPZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-2-chlorophenol hydrobromide
CID 67045534
4-(Aminomethyl)-2-chlorophenol
CID 12376517
2-Chloro-4-[[(4-fluorophenyl)methylamino]methyl]phenol
CID 61683462
2-Chloro-6-fluoro-4-[(3-methylhex-5-enylamino)methyl]phenol
CID 134232794
2-Chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol
CID 142098926
2-Chloro-5-fluoro-4-[(3-methylbutylamino)methyl]phenol
CID 142099002
4-[[(1-Benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol
CID 142099062
2-Chloro-4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61680842
2-Chloro-4-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61680889
2-Chloro-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 61681288
2-Chloro-4-[[1-(2,6-difluorophenyl)ethylamino]methyl]phenol
CID 61681380
2-Chloro-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61681466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol (CID 83006911) is 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol is CC1CCCC(C)N1NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol?
The InChIKey is YPKCRSVPEKAOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-4-3-5-11(2)17(10)16-9-12-6-7-14(18)13(15)8-12/h6-8,10-11,16,18H,3-5,9H2,1-2H3.
What are the key properties of 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol?
2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol has a molecular weight of 268.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol is sourced from PubChem (CID 83006911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).