2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol

C19H26N2O — CID 82216002

IUPAC2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
SMILESCN1CCC(N(C)CC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H26N2O/c1-20-11-9-18(10-12-20)21(2)14-19(22)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18-19,22H,9-12,14H2,1-2H3
InChIKeyOCARDZYTAGIJDY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.90
Rot. Bonds4

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol

2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol (PubChem CID 82216002) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
PubChem CID82216002
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
SMILESCN1CCC(N(C)CC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H26N2O/c1-20-11-9-18(10-12-20)21(2)14-19(22)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18-19,22H,9-12,14H2,1-2H3
InChIKeyOCARDZYTAGIJDY-UHFFFAOYSA-N
XLogP2.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
CID 125463943
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944
1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 82135958
CID 149219600
CID 149219600
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
cyclopropyl(naphthalen-2-yl)methanol
CID 62791150
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
CID 44546740

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol (CID 82216002) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol is CN1CCC(N(C)CC(O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol?
The InChIKey is OCARDZYTAGIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-20-11-9-18(10-12-20)21(2)14-19(22)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18-19,22H,9-12,14H2,1-2H3.
What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol?
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol has a molecular weight of 298.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 82216002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).