butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile

C15H28N2 — CID 166141846

IUPACbutane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile
SMILESCC1(CN2CCC(C#N)CC2)CC1.CCCC
InChIInChI=1S/C11H18N2.C4H10/c1-11(4-5-11)9-13-6-2-10(8-12)3-7-13;1-3-4-2/h10H,2-7,9H2,1H3;3-4H2,1-2H3
InChIKeyRJIVVKAUUCUXPQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.83
Rot. Bonds3

About butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile

butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile (PubChem CID 166141846) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Namebutane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile
PubChem CID166141846
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Namebutane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile
SMILESCC1(CN2CCC(C#N)CC2)CC1.CCCC
InChIInChI=1S/C11H18N2.C4H10/c1-11(4-5-11)9-13-6-2-10(8-12)3-7-13;1-3-4-2/h10H,2-7,9H2,1H3;3-4H2,1-2H3
InChIKeyRJIVVKAUUCUXPQ-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
CID 166141791
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
(3S)-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-amine
CID 130875890
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237
1-[[hydroxysulfanyl(methyl)amino]methyl]piperidine-4-carbonitrile
CID 167161820
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
CID 107164155
1-methylpiperidine-4-carbonitrile
CID 11789206
1-heptan-3-ylpiperidine-4-carbonitrile
CID 123605422

Frequently Asked Questions

What is the IUPAC name of butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile?
The IUPAC name of butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile (CID 166141846) is butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile is CC1(CN2CCC(C#N)CC2)CC1.CCCC.
What is the InChIKey of butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile?
The InChIKey is RJIVVKAUUCUXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C4H10/c1-11(4-5-11)9-13-6-2-10(8-12)3-7-13;1-3-4-2/h10H,2-7,9H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile?
butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile has a molecular weight of 236.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 166141846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).