1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol

C15H24N2O — CID 62658137

IUPAC1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
SMILESCC(O)c1ccccc1NCC1CCCN(C)C1
InChIInChI=1S/C15H24N2O/c1-12(18)14-7-3-4-8-15(14)16-10-13-6-5-9-17(2)11-13/h3-4,7-8,12-13,16,18H,5-6,9-11H2,1-2H3
InChIKeyKGMOOQAWFQVYKN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds4

About 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol

1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol (PubChem CID 62658137) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
PubChem CID62658137
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
SMILESCC(O)c1ccccc1NCC1CCCN(C)C1
InChIInChI=1S/C15H24N2O/c1-12(18)14-7-3-4-8-15(14)16-10-13-6-5-9-17(2)11-13/h3-4,7-8,12-13,16,18H,5-6,9-11H2,1-2H3
InChIKeyKGMOOQAWFQVYKN-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655606
3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665
N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
CID 62659401
N-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62655412
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62658463
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol?
The IUPAC name of 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol (CID 62658137) is 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol is CC(O)c1ccccc1NCC1CCCN(C)C1.
What is the InChIKey of 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol?
The InChIKey is KGMOOQAWFQVYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)14-7-3-4-8-15(14)16-10-13-6-5-9-17(2)11-13/h3-4,7-8,12-13,16,18H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol?
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 62658137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).