2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol

C15H24N2O — CID 104870411

IUPAC2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
SMILESCC(c1ccccc1O)N(C)CC1CCCNC1
InChIInChI=1S/C15H24N2O/c1-12(14-7-3-4-8-15(14)18)17(2)11-13-6-5-9-16-10-13/h3-4,7-8,12-13,16,18H,5-6,9-11H2,1-2H3
InChIKeyHMHGBTVRRKRFAM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds4

About 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol

2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol (PubChem CID 104870411) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
PubChem CID104870411
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
SMILESCC(c1ccccc1O)N(C)CC1CCCNC1
InChIInChI=1S/C15H24N2O/c1-12(14-7-3-4-8-15(14)18)17(2)11-13-6-5-9-16-10-13/h3-4,7-8,12-13,16,18H,5-6,9-11H2,1-2H3
InChIKeyHMHGBTVRRKRFAM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol (CID 104870411) is 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol is CC(c1ccccc1O)N(C)CC1CCCNC1.
What is the InChIKey of 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
The InChIKey is HMHGBTVRRKRFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(14-7-3-4-8-15(14)18)17(2)11-13-6-5-9-16-10-13/h3-4,7-8,12-13,16,18H,5-6,9-11H2,1-2H3.
What are the key properties of 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol is sourced from PubChem (CID 104870411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).