2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile

C20H30N2O — CID 134112534

IUPAC2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
SMILESCOc1ccc(C(C#N)(CCCN2CCCCC2)C(C)C)cc1
InChIInChI=1S/C20H30N2O/c1-17(2)20(16-21,18-8-10-19(23-3)11-9-18)12-7-15-22-13-5-4-6-14-22/h8-11,17H,4-7,12-15H2,1-3H3
InChIKeyGEYRNEDWTNWBAY-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.38
Rot. Bonds7

About 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile

2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile (PubChem CID 134112534) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
PubChem CID134112534
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
SMILESCOc1ccc(C(C#N)(CCCN2CCCCC2)C(C)C)cc1
InChIInChI=1S/C20H30N2O/c1-17(2)20(16-21,18-8-10-19(23-3)11-9-18)12-7-15-22-13-5-4-6-14-22/h8-11,17H,4-7,12-15H2,1-3H3
InChIKeyGEYRNEDWTNWBAY-UHFFFAOYSA-N
XLogP4.38
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile;hydrochloride
CID 22718242
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-[4-[(Z)-hydroxyiminomethyl]phenyl]-2-propan-2-ylpentanenitrile
CID 87888010
CID 163654273
CID 163654273
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-(3-fluorophenyl)-2-propan-2-ylpentanenitrile
CID 22718338
5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile
CID 20800768
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide
CID 70051548
2-(3-fluorophenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
CID 22393736
2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile
CID 22990682
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate
CID 22718374
1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43508773

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile (CID 134112534) is 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile is COc1ccc(C(C#N)(CCCN2CCCCC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile?
The InChIKey is GEYRNEDWTNWBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-17(2)20(16-21,18-8-10-19(23-3)11-9-18)12-7-15-22-13-5-4-6-14-22/h8-11,17H,4-7,12-15H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile?
2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile has a molecular weight of 314.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 134112534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).