2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol

C15H24N2O — CID 61170168

IUPAC2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
SMILESCCN1CCCC(NC(C)c2ccccc2O)C1
InChIInChI=1S/C15H24N2O/c1-3-17-10-6-7-13(11-17)16-12(2)14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16,18H,3,6-7,10-11H2,1-2H3
InChIKeyGAXWKJCTNBUXGN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol

2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol (PubChem CID 61170168) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
PubChem CID61170168
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
SMILESCCN1CCCC(NC(C)c2ccccc2O)C1
InChIInChI=1S/C15H24N2O/c1-3-17-10-6-7-13(11-17)16-12(2)14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16,18H,3,6-7,10-11H2,1-2H3
InChIKeyGAXWKJCTNBUXGN-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.53
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

1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
CID 61170753
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
CID 61171729
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
CID 124848782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol (CID 61170168) is 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol is CCN1CCCC(NC(C)c2ccccc2O)C1.
What is the InChIKey of 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol?
The InChIKey is GAXWKJCTNBUXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17-10-6-7-13(11-17)16-12(2)14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol?
2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 61170168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).