4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile

C15H22N4 — CID 63885775

IUPAC4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN1CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C15H22N4/c1-13(2)11-18-5-7-19(8-6-18)12-14-3-4-17-15(9-14)10-16/h3-4,9,13H,5-8,11-12H2,1-2H3
InChIKeyHCUBJKLDLWKZBH-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.73
Rot. Bonds4

About 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 63885775) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID63885775
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN1CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C15H22N4/c1-13(2)11-18-5-7-19(8-6-18)12-14-3-4-17-15(9-14)10-16/h3-4,9,13H,5-8,11-12H2,1-2H3
InChIKeyHCUBJKLDLWKZBH-UHFFFAOYSA-N
XLogP1.73
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 112703461
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 63885773
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 115305378
4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
CID 63886161
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile (CID 63885775) is 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile is CC(C)CN1CCN(Cc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is HCUBJKLDLWKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13(2)11-18-5-7-19(8-6-18)12-14-3-4-17-15(9-14)10-16/h3-4,9,13H,5-8,11-12H2,1-2H3.
What are the key properties of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).