1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile

C24H32N2O — CID 145119091

IUPAC1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile
SMILESCC.CC1CCN(C2CCC2)CC1.N#Cc1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C12H7NO.C10H19N.C2H6/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9;1-9-5-7-11(8-6-9)10-3-2-4-10;1-2/h1-6,8H;9-10H,2-8H2,1H3;1-2H3
InChIKeyQXAARJPSFFJPNC-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.82
Rot. Bonds2

About 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile

1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile (PubChem CID 145119091) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile
PubChem CID145119091
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile
SMILESCC.CC1CCN(C2CCC2)CC1.N#Cc1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C12H7NO.C10H19N.C2H6/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9;1-9-5-7-11(8-6-9)10-3-2-4-10;1-2/h1-6,8H;9-10H,2-8H2,1H3;1-2H3
InChIKeyQXAARJPSFFJPNC-UHFFFAOYSA-N
XLogP5.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
CID 151129511
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile
CID 143766522
3-(4-methylpiperidin-1-yl)benzaldehyde
CID 84758563
6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde
CID 90026924
4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile
CID 79686652
4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile
CID 69354975
3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole-8-carbonitrile
CID 58063984
4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde
CID 54189358

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile?
The IUPAC name of 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile (CID 145119091) is 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile?
The canonical SMILES for 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile is CC.CC1CCN(C2CCC2)CC1.N#Cc1ccc2cc(C=O)ccc2c1.
What is the InChIKey of 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile?
The InChIKey is QXAARJPSFFJPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO.C10H19N.C2H6/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9;1-9-5-7-11(8-6-9)10-3-2-4-10;1-2/h1-6,8H;9-10H,2-8H2,1H3;1-2H3.
What are the key properties of 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile?
1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile has a molecular weight of 364.53 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile is sourced from PubChem (CID 145119091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).