6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C16H21N3 — CID 58916989

IUPAC6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCN1CCN(C2CCc3cc(C#N)ccc3C2)CC1
InChIInChI=1S/C16H21N3/c1-18-6-8-19(9-7-18)16-5-4-14-10-13(12-17)2-3-15(14)11-16/h2-3,10,16H,4-9,11H2,1H3
InChIKeyMQNDFKMPAOTDIZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.66
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 58916989) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID58916989
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCN1CCN(C2CCc3cc(C#N)ccc3C2)CC1
InChIInChI=1S/C16H21N3/c1-18-6-8-19(9-7-18)16-5-4-14-10-13(12-17)2-3-15(14)11-16/h2-3,10,16H,4-9,11H2,1H3
InChIKeyMQNDFKMPAOTDIZ-UHFFFAOYSA-N
XLogP1.66
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 10445028
1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 67456419
(6R)-6-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;hydrochloride
CID 118597063
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
CID 138553639
(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile
CID 129388309
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
6-[4-[(2R)-6-isocyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxopiperazin-1-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 123835921
N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045306
6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 19045357
6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 13488729
N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 19045458
2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile
CID 82163959

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 58916989) is 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CN1CCN(C2CCc3cc(C#N)ccc3C2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is MQNDFKMPAOTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-18-6-8-19(9-7-18)16-5-4-14-10-13(12-17)2-3-15(14)11-16/h2-3,10,16H,4-9,11H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 58916989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).