2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile

C15H21N3O — CID 43288567

IUPAC2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
SMILESCN1CCN(CCOc2ccc(CC#N)cc2)CC1
InChIInChI=1S/C15H21N3O/c1-17-8-10-18(11-9-17)12-13-19-15-4-2-14(3-5-15)6-7-16/h2-5H,6,8-13H2,1H3
InChIKeyHMVJLGVVKCPZBG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.38
Rot. Bonds5

About 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile

2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile (PubChem CID 43288567) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
PubChem CID43288567
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
SMILESCN1CCN(CCOc2ccc(CC#N)cc2)CC1
InChIInChI=1S/C15H21N3O/c1-17-8-10-18(11-9-17)12-13-19-15-4-2-14(3-5-15)6-7-16/h2-5H,6,8-13H2,1H3
InChIKeyHMVJLGVVKCPZBG-UHFFFAOYSA-N
XLogP1.38
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]acetonitrile
CID 43586007
2-[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]acetonitrile
CID 60584902
2-[4-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 63609172
2-[4-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]acetonitrile
CID 61419077
2-[4-[2-(3-propan-2-ylpyrrolidin-1-yl)ethoxy]phenyl]acetonitrile
CID 115688495
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
2-[4-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 62928760
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 79497204

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile (CID 43288567) is 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile is CN1CCN(CCOc2ccc(CC#N)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile?
The InChIKey is HMVJLGVVKCPZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-8-10-18(11-9-17)12-13-19-15-4-2-14(3-5-15)6-7-16/h2-5H,6,8-13H2,1H3.
What are the key properties of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile has a molecular weight of 259.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 43288567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).