3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol

C16H26N2O — CID 43748459

IUPAC3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
SMILESCC(NC(C)C1CCCN(C)C1)c1cccc(O)c1
InChIInChI=1S/C16H26N2O/c1-12(14-6-4-8-16(19)10-14)17-13(2)15-7-5-9-18(3)11-15/h4,6,8,10,12-13,15,17,19H,5,7,9,11H2,1-3H3
InChIKeyVAWRLAJEXUUCPB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds4

About 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol

3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol (PubChem CID 43748459) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
PubChem CID43748459
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
SMILESCC(NC(C)C1CCCN(C)C1)c1cccc(O)c1
InChIInChI=1S/C16H26N2O/c1-12(14-6-4-8-16(19)10-14)17-13(2)15-7-5-9-18(3)11-15/h4,6,8,10,12-13,15,17,19H,5,7,9,11H2,1-3H3
InChIKeyVAWRLAJEXUUCPB-UHFFFAOYSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
CID 105495145
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol (CID 43748459) is 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol is CC(NC(C)C1CCCN(C)C1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol?
The InChIKey is VAWRLAJEXUUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(14-6-4-8-16(19)10-14)17-13(2)15-7-5-9-18(3)11-15/h4,6,8,10,12-13,15,17,19H,5,7,9,11H2,1-3H3.
What are the key properties of 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol?
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43748459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).