5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile

C17H24N2O — CID 71985476

IUPAC5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
SMILESCOc1ccc(C2CCN(CCCCC#N)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-20-17-7-5-15(6-8-17)16-9-13-19(14-10-16)12-4-2-3-11-18/h5-8,16H,2-4,9-10,12-14H2,1H3
InChIKeyWZOSUDMFVZVAIY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.57
Rot. Bonds6

About 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile

5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile (PubChem CID 71985476) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
PubChem CID71985476
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
SMILESCOc1ccc(C2CCN(CCCCC#N)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-20-17-7-5-15(6-8-17)16-9-13-19(14-10-16)12-4-2-3-11-18/h5-8,16H,2-4,9-10,12-14H2,1H3
InChIKeyWZOSUDMFVZVAIY-UHFFFAOYSA-N
XLogP3.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
3-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]propanenitrile
CID 94698512
3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile
CID 89306197
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887
2-[4-(4-methoxyphenyl)piperidin-1-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 143576498
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
1-[8-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propoxy]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methylpropan-1-one
CID 21108086
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine
CID 142698769
1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 18986558

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile (CID 71985476) is 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile is COc1ccc(C2CCN(CCCCC#N)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile?
The InChIKey is WZOSUDMFVZVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-20-17-7-5-15(6-8-17)16-9-13-19(14-10-16)12-4-2-3-11-18/h5-8,16H,2-4,9-10,12-14H2,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile?
5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile has a molecular weight of 272.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 71985476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).