2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol

C17H28N2O2 — CID 43178235

IUPAC2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
SMILESCOc1cc(CNCCCN2CCCCC2C)ccc1O
InChIInChI=1S/C17H28N2O2/c1-14-6-3-4-10-19(14)11-5-9-18-13-15-7-8-16(20)17(12-15)21-2/h7-8,12,14,18,20H,3-6,9-11,13H2,1-2H3
InChIKeyYYMAPZYSYFIFTR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.75
Rot. Bonds7

About 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol

2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol (PubChem CID 43178235) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
PubChem CID43178235
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
SMILESCOc1cc(CNCCCN2CCCCC2C)ccc1O
InChIInChI=1S/C17H28N2O2/c1-14-6-3-4-10-19(14)11-5-9-18-13-15-7-8-16(20)17(12-15)21-2/h7-8,12,14,18,20H,3-6,9-11,13H2,1-2H3
InChIKeyYYMAPZYSYFIFTR-UHFFFAOYSA-N
XLogP2.75
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.75
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

N-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43224374
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 115523425
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111200340
4-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]-2-methoxyphenol
CID 118727082
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol (CID 43178235) is 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol is COc1cc(CNCCCN2CCCCC2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol?
The InChIKey is YYMAPZYSYFIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-6-3-4-10-19(14)11-5-9-18-13-15-7-8-16(20)17(12-15)21-2/h7-8,12,14,18,20H,3-6,9-11,13H2,1-2H3.
What are the key properties of 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol?
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol is sourced from PubChem (CID 43178235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).