4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile

C16H22N2O2 — CID 102960028

IUPAC4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile
SMILESCOC1CN(c2cc(C#N)ccc2C(C)O)CCC1C
InChIInChI=1S/C16H22N2O2/c1-11-6-7-18(10-16(11)20-3)15-8-13(9-17)4-5-14(15)12(2)19/h4-5,8,11-12,16,19H,6-7,10H2,1-3H3
InChIKeyQUICTAXGWQXKSP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.47
Rot. Bonds3

About 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile

4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile (PubChem CID 102960028) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile
PubChem CID102960028
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile
SMILESCOC1CN(c2cc(C#N)ccc2C(C)O)CCC1C
InChIInChI=1S/C16H22N2O2/c1-11-6-7-18(10-16(11)20-3)15-8-13(9-17)4-5-14(15)12(2)19/h4-5,8,11-12,16,19H,6-7,10H2,1-3H3
InChIKeyQUICTAXGWQXKSP-UHFFFAOYSA-N
XLogP2.47
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Fluoro-6-(morpholin-4-yl)phenyl)ethan-1-ol
CID 43505881
1-(4-Methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 11779346
1-(4-Ethylphenyl)-2-(4-phenylpiperazin-1-YL)ethan-1-OL
CID 52983696
1-(4-Methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180194
1-(4-Methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-YL]ethan-1-OL
CID 53180199
2-(3-Morpholin-4-ylphenyl)propan-2-ol
CID 117316091
1-(4-Fluoro-3-morpholin-4-yl-phenyl)ethanol
CID 22605547
2,2,2-Trifluoro-1-[3-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylphenyl]ethanol
CID 67532386
2-(4-Prop-2-enylpiperazin-1-yl)-6-(2,2,2-trifluoro-1-hydroxyethyl)benzonitrile
CID 67532603
2-[4-(2-Methoxyethyl)piperazin-1-yl]-6-(2,2,2-trifluoro-1-hydroxyethyl)benzonitrile
CID 67532785
2-(4-Ethylpiperazin-1-yl)-6-(2,2,2-trifluoro-1-hydroxyethyl)benzonitrile
CID 67533403
2-(4-Propylpiperazin-1-yl)-6-(2,2,2-trifluoro-1-hydroxyethyl)benzonitrile
CID 67533478

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile?
The IUPAC name of 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile (CID 102960028) is 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile is COC1CN(c2cc(C#N)ccc2C(C)O)CCC1C.
What is the InChIKey of 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile?
The InChIKey is QUICTAXGWQXKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-6-7-18(10-16(11)20-3)15-8-13(9-17)4-5-14(15)12(2)19/h4-5,8,11-12,16,19H,6-7,10H2,1-3H3.
What are the key properties of 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile?
4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 102960028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).