2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile

C15H20N2O2 — CID 82020175

IUPAC2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
SMILESCCOc1ccccc1C(C#N)N1CCC(O)CC1
InChIInChI=1S/C15H20N2O2/c1-2-19-15-6-4-3-5-13(15)14(11-16)17-9-7-12(18)8-10-17/h3-6,12,14,18H,2,7-10H2,1H3
InChIKeyXCFPQFSYGCHTHT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile

2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile (PubChem CID 82020175) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
PubChem CID82020175
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
SMILESCCOc1ccccc1C(C#N)N1CCC(O)CC1
InChIInChI=1S/C15H20N2O2/c1-2-19-15-6-4-3-5-13(15)14(11-16)17-9-7-12(18)8-10-17/h3-6,12,14,18H,2,7-10H2,1H3
InChIKeyXCFPQFSYGCHTHT-UHFFFAOYSA-N
XLogP2.11
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-2-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
CID 84758016
2-(2-ethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539891
1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 84817751
2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756823
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid
CID 97193493
4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 101430688
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile (CID 82020175) is 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile is CCOc1ccccc1C(C#N)N1CCC(O)CC1.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile?
The InChIKey is XCFPQFSYGCHTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-15-6-4-3-5-13(15)14(11-16)17-9-7-12(18)8-10-17/h3-6,12,14,18H,2,7-10H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile?
2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile is sourced from PubChem (CID 82020175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).