2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile

C19H26N2O — CID 3040613

IUPAC2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile
SMILESCCC(C#N)C1(O)CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H26N2O/c1-2-17(14-20)19(22)9-11-21(12-10-19)18-8-7-15-5-3-4-6-16(15)13-18/h3-6,17-18,22H,2,7-13H2,1H3
InChIKeyNOFSIALXYISUGF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile

2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile (PubChem CID 3040613) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile
PubChem CID3040613
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile
SMILESCCC(C#N)C1(O)CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H26N2O/c1-2-17(14-20)19(22)9-11-21(12-10-19)18-8-7-15-5-3-4-6-16(15)13-18/h3-6,17-18,22H,2,7-13H2,1H3
InChIKeyNOFSIALXYISUGF-UHFFFAOYSA-N
XLogP2.92
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile?
The IUPAC name of 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile (CID 3040613) is 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile.
What is the SMILES notation for 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile?
The canonical SMILES for 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile is CCC(C#N)C1(O)CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile?
The InChIKey is NOFSIALXYISUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-17(14-20)19(22)9-11-21(12-10-19)18-8-7-15-5-3-4-6-16(15)13-18/h3-6,17-18,22H,2,7-13H2,1H3.
What are the key properties of 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile?
2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile has a molecular weight of 298.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile is sourced from PubChem (CID 3040613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).