[2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol

C14H22N2O2 — CID 142998394

IUPAC[2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
SMILESCOc1cccc(NC2CCN(C)CC2)c1CO
InChIInChI=1S/C14H22N2O2/c1-16-8-6-11(7-9-16)15-13-4-3-5-14(18-2)12(13)10-17/h3-5,11,15,17H,6-10H2,1-2H3
InChIKeyXQBKUEUXFZZTHB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds4

About [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol

[2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol (PubChem CID 142998394) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
PubChem CID142998394
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
SMILESCOc1cccc(NC2CCN(C)CC2)c1CO
InChIInChI=1S/C14H22N2O2/c1-16-8-6-11(7-9-16)15-13-4-3-5-14(18-2)12(13)10-17/h3-5,11,15,17H,6-10H2,1-2H3
InChIKeyXQBKUEUXFZZTHB-UHFFFAOYSA-N
XLogP1.69
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol?
The IUPAC name of [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol (CID 142998394) is [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol is COc1cccc(NC2CCN(C)CC2)c1CO.
What is the InChIKey of [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol?
The InChIKey is XQBKUEUXFZZTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-8-6-11(7-9-16)15-13-4-3-5-14(18-2)12(13)10-17/h3-5,11,15,17H,6-10H2,1-2H3.
What are the key properties of [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol?
[2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-[(1-methylpiperidin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 142998394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).