2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol

C17H28N2O — CID 103496849

IUPAC2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
SMILESCNC(C)c1ccc(N2CCC(C(C)C)CC2)cc1O
InChIInChI=1S/C17H28N2O/c1-12(2)14-7-9-19(10-8-14)15-5-6-16(13(3)18-4)17(20)11-15/h5-6,11-14,18,20H,7-10H2,1-4H3
InChIKeyHVUUSZDZEUCNQW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.55
Rot. Bonds4

About 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol

2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol (PubChem CID 103496849) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
PubChem CID103496849
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
SMILESCNC(C)c1ccc(N2CCC(C(C)C)CC2)cc1O
InChIInChI=1S/C17H28N2O/c1-12(2)14-7-9-19(10-8-14)15-5-6-16(13(3)18-4)17(20)11-15/h5-6,11-14,18,20H,7-10H2,1-4H3
InChIKeyHVUUSZDZEUCNQW-UHFFFAOYSA-N
XLogP3.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103498532
5-(4-ethylazepan-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79604082
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
2-[1-(methylamino)ethyl]-5-(1,4-thiazepan-4-yl)phenol
CID 79603969
1-[3-hydroxy-4-[1-(methylamino)ethyl]phenyl]-4-methylazepan-4-ol
CID 107405015
2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol
CID 114410350
4-[3-hydroxy-4-[1-(methylamino)ethyl]phenyl]-1-methylpiperazin-2-one
CID 79603826

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol?
The IUPAC name of 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol (CID 103496849) is 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol is CNC(C)c1ccc(N2CCC(C(C)C)CC2)cc1O.
What is the InChIKey of 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol?
The InChIKey is HVUUSZDZEUCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)14-7-9-19(10-8-14)15-5-6-16(13(3)18-4)17(20)11-15/h5-6,11-14,18,20H,7-10H2,1-4H3.
What are the key properties of 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol?
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol has a molecular weight of 276.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol is sourced from PubChem (CID 103496849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).