4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile

C17H24N4 — CID 70060153

IUPAC4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile
SMILESCC1CNCCC1N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H24N4/c1-14-13-19-7-6-17(14)21-10-8-20(9-11-21)16-4-2-15(12-18)3-5-16/h2-5,14,17,19H,6-11,13H2,1H3
InChIKeyXAJSLPBBUVICMV-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.68
Rot. Bonds2

About 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile

4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile (PubChem CID 70060153) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile
PubChem CID70060153
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile
SMILESCC1CNCCC1N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H24N4/c1-14-13-19-7-6-17(14)21-10-8-20(9-11-21)16-4-2-15(12-18)3-5-16/h2-5,14,17,19H,6-11,13H2,1H3
InChIKeyXAJSLPBBUVICMV-UHFFFAOYSA-N
XLogP1.68
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(3R,4S)-3-methylpiperidin-4-yl]piperazin-1-yl]benzonitrile
CID 70060159
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
CID 126619493
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 67315320
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-[(2S)-2-methylpiperazin-1-yl]benzonitrile
CID 94546154
4-(4-methylpiperidin-3-yl)benzonitrile
CID 134389997
4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
4-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]benzonitrile
CID 169148718
4-(2-methylazetidin-1-yl)benzonitrile
CID 78971394
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
CID 15940810

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile (CID 70060153) is 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile is CC1CNCCC1N1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile?
The InChIKey is XAJSLPBBUVICMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-13-19-7-6-17(14)21-10-8-20(9-11-21)16-4-2-15(12-18)3-5-16/h2-5,14,17,19H,6-11,13H2,1H3.
What are the key properties of 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile?
4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile has a molecular weight of 284.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 70060153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).