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

C17H28N2O — CID 114448733

IUPAC2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
SMILESCCC(NCCC1CCN(C)CC1)c1ccccc1O
InChIInChI=1S/C17H28N2O/c1-3-16(15-6-4-5-7-17(15)20)18-11-8-14-9-12-19(2)13-10-14/h4-7,14,16,18,20H,3,8-13H2,1-2H3
InChIKeyNWCIFVDLMQMNKC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds6

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

2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol (PubChem CID 114448733) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
PubChem CID114448733
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
SMILESCCC(NCCC1CCN(C)CC1)c1ccccc1O
InChIInChI=1S/C17H28N2O/c1-3-16(15-6-4-5-7-17(15)20)18-11-8-14-9-12-19(2)13-10-14/h4-7,14,16,18,20H,3,8-13H2,1-2H3
InChIKeyNWCIFVDLMQMNKC-UHFFFAOYSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
1-[4-[[1-(2-hydroxyphenyl)propylamino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154753115
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 104582302
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
CID 115995663
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol?
The IUPAC name of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol (CID 114448733) is 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol?
The canonical SMILES for 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol is CCC(NCCC1CCN(C)CC1)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol?
The InChIKey is NWCIFVDLMQMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16(15-6-4-5-7-17(15)20)18-11-8-14-9-12-19(2)13-10-14/h4-7,14,16,18,20H,3,8-13H2,1-2H3.
What are the key properties of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol?
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol is sourced from PubChem (CID 114448733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).