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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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).