2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol

C16H26N2O2 — CID 61239312

IUPAC2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNCCN2CCC(C)CC2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-13-5-8-18(9-6-13)10-7-17-12-14-3-4-15(19)16(11-14)20-2/h3-4,11,13,17,19H,5-10,12H2,1-2H3
InChIKeyCYLCGUPWJZEAMF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds6

About 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol

2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol (PubChem CID 61239312) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
PubChem CID61239312
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNCCN2CCC(C)CC2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-13-5-8-18(9-6-13)10-7-17-12-14-3-4-15(19)16(11-14)20-2/h3-4,11,13,17,19H,5-10,12H2,1-2H3
InChIKeyCYLCGUPWJZEAMF-UHFFFAOYSA-N
XLogP2.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119126719
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
4-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]-2-methoxyphenol
CID 118727082
N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
CID 115978630
2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54807291

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol (CID 61239312) is 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol is COc1cc(CNCCN2CCC(C)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
The InChIKey is CYLCGUPWJZEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-8-18(9-6-13)10-7-17-12-14-3-4-15(19)16(11-14)20-2/h3-4,11,13,17,19H,5-10,12H2,1-2H3.
What are the key properties of 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 61239312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).