4-(2-methylidenebutyl)piperidine-4-carbonitrile

C11H18N2 — CID 130516853

IUPAC4-(2-methylidenebutyl)piperidine-4-carbonitrile
SMILESC=C(CC)CC1(C#N)CCNCC1
InChIInChI=1S/C11H18N2/c1-3-10(2)8-11(9-12)4-6-13-7-5-11/h13H,2-8H2,1H3
InChIKeyZGJYJEYPVUQPEZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About 4-(2-methylidenebutyl)piperidine-4-carbonitrile

4-(2-methylidenebutyl)piperidine-4-carbonitrile (PubChem CID 130516853) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2-methylidenebutyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2-methylidenebutyl)piperidine-4-carbonitrile
PubChem CID130516853
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2-methylidenebutyl)piperidine-4-carbonitrile
SMILESC=C(CC)CC1(C#N)CCNCC1
InChIInChI=1S/C11H18N2/c1-3-10(2)8-11(9-12)4-6-13-7-5-11/h13H,2-8H2,1H3
InChIKeyZGJYJEYPVUQPEZ-UHFFFAOYSA-N
XLogP2.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylidenebutyl)cyclohexane-1-carbonitrile
CID 130513478
4-ethylpiperidine-4-carbonitrile;hydrochloride
CID 75531112
3-(2-methylidenebutyl)-1,1-dioxothiolane-3-carbonitrile
CID 130514383
1-(2-oxopropyl)cyclopropane-1-carbonitrile
CID 118669099
4-[(E)-3-chloroprop-2-enyl]piperidine-4-carbonitrile
CID 130516872
4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile
CID 155351165
3-methylidenepentane;hydrate
CID 162329688
4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile
CID 143030524
3-methylidene-1-(3-methylpyrrolidin-3-yl)pentan-1-one
CID 116570154
4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
CID 140766672
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile
CID 118667710

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebutyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(2-methylidenebutyl)piperidine-4-carbonitrile (CID 130516853) is 4-(2-methylidenebutyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2-methylidenebutyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2-methylidenebutyl)piperidine-4-carbonitrile is C=C(CC)CC1(C#N)CCNCC1.
What is the InChIKey of 4-(2-methylidenebutyl)piperidine-4-carbonitrile?
The InChIKey is ZGJYJEYPVUQPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(2)8-11(9-12)4-6-13-7-5-11/h13H,2-8H2,1H3.
What are the key properties of 4-(2-methylidenebutyl)piperidine-4-carbonitrile?
4-(2-methylidenebutyl)piperidine-4-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebutyl)piperidine-4-carbonitrile is sourced from PubChem (CID 130516853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).