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

C17H28N2O — CID 61240084

IUPAC2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
SMILESCCC(NCCN1CCC(C)CC1)c1ccccc1O
InChIInChI=1S/C17H28N2O/c1-3-16(15-6-4-5-7-17(15)20)18-10-13-19-11-8-14(2)9-12-19/h4-7,14,16,18,20H,3,8-13H2,1-2H3
InChIKeyMTWVEIIIVOZDMY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds6

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

2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol (PubChem CID 61240084) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
PubChem CID61240084
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
SMILESCCC(NCCN1CCC(C)CC1)c1ccccc1O
InChIInChI=1S/C17H28N2O/c1-3-16(15-6-4-5-7-17(15)20)18-10-13-19-11-8-14(2)9-12-19/h4-7,14,16,18,20H,3,8-13H2,1-2H3
InChIKeyMTWVEIIIVOZDMY-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-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol?
The IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol (CID 61240084) is 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol?
The canonical SMILES for 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol is CCC(NCCN1CCC(C)CC1)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol?
The InChIKey is MTWVEIIIVOZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16(15-6-4-5-7-17(15)20)18-10-13-19-11-8-14(2)9-12-19/h4-7,14,16,18,20H,3,8-13H2,1-2H3.
What are the key properties of 2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol?
2-[1-[2-(4-methylpiperidin-1-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-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol is sourced from PubChem (CID 61240084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).