2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol

C16H26N2O — CID 43741721

IUPAC2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol
SMILESCCCN1CCC(Nc2ccc(C)c(O)c2C)CC1
InChIInChI=1S/C16H26N2O/c1-4-9-18-10-7-14(8-11-18)17-15-6-5-12(2)16(19)13(15)3/h5-6,14,17,19H,4,7-11H2,1-3H3
InChIKeyCZDYSUFNSYEYAH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.30
Rot. Bonds4

About 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol

2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol (PubChem CID 43741721) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol
PubChem CID43741721
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol
SMILESCCCN1CCC(Nc2ccc(C)c(O)c2C)CC1
InChIInChI=1S/C16H26N2O/c1-4-9-18-10-7-14(8-11-18)17-15-6-5-12(2)16(19)13(15)3/h5-6,14,17,19H,4,7-11H2,1-3H3
InChIKeyCZDYSUFNSYEYAH-UHFFFAOYSA-N
XLogP3.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol?
The IUPAC name of 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol (CID 43741721) is 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol is CCCN1CCC(Nc2ccc(C)c(O)c2C)CC1.
What is the InChIKey of 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol?
The InChIKey is CZDYSUFNSYEYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-18-10-7-14(8-11-18)17-15-6-5-12(2)16(19)13(15)3/h5-6,14,17,19H,4,7-11H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol?
2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol has a molecular weight of 262.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol is sourced from PubChem (CID 43741721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).