(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol

C19H32N2O3 — CID 42310496

IUPAC(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol
SMILESCOc1ccccc1CCN1CCC(CN(C)C[C@@H](O)CO)CC1
InChIInChI=1S/C19H32N2O3/c1-20(14-18(23)15-22)13-16-7-10-21(11-8-16)12-9-17-5-3-4-6-19(17)24-2/h3-6,16,18,22-23H,7-15H2,1-2H3/t18-/m1/s1
InChIKeyZUZKSQLYCJIETH-GOSISDBHSA-N
MW336.48 g/mol
LogP1.23
Rot. Bonds9

About (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol

(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol (PubChem CID 42310496) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol
PubChem CID42310496
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol
SMILESCOc1ccccc1CCN1CCC(CN(C)C[C@@H](O)CO)CC1
InChIInChI=1S/C19H32N2O3/c1-20(14-18(23)15-22)13-16-7-10-21(11-8-16)12-9-17-5-3-4-6-19(17)24-2/h3-6,16,18,22-23H,7-15H2,1-2H3/t18-/m1/s1
InChIKeyZUZKSQLYCJIETH-GOSISDBHSA-N
XLogP1.23
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol with MolForge

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Related Compounds

1-[4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]ethanone
CID 25454138
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 56701591
(E)-3-(furan-2-yl)-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylprop-2-en-1-amine
CID 26327390
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 45187565
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 45213997
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25379592
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
CID 106261953
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol (CID 42310496) is (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol is COc1ccccc1CCN1CCC(CN(C)C[C@@H](O)CO)CC1.
What is the InChIKey of (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol?
The InChIKey is ZUZKSQLYCJIETH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-20(14-18(23)15-22)13-16-7-10-21(11-8-16)12-9-17-5-3-4-6-19(17)24-2/h3-6,16,18,22-23H,7-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol?
(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol has a molecular weight of 336.48 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 42310496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).