2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile

C12H20N2 — CID 130601880

IUPAC2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
SMILESCC1(CC2(C#N)CCCCN2)CCC1
InChIInChI=1S/C12H20N2/c1-11(5-4-6-11)9-12(10-13)7-2-3-8-14-12/h14H,2-9H2,1H3
InChIKeyVMPNHLMMKLXRMA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.60
Rot. Bonds2

About 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile

2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile (PubChem CID 130601880) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
PubChem CID130601880
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
SMILESCC1(CC2(C#N)CCCCN2)CCC1
InChIInChI=1S/C12H20N2/c1-11(5-4-6-11)9-12(10-13)7-2-3-8-14-12/h14H,2-9H2,1H3
InChIKeyVMPNHLMMKLXRMA-UHFFFAOYSA-N
XLogP2.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile?
The IUPAC name of 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile (CID 130601880) is 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile.
What is the SMILES notation for 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile?
The canonical SMILES for 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile is CC1(CC2(C#N)CCCCN2)CCC1.
What is the InChIKey of 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile?
The InChIKey is VMPNHLMMKLXRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(5-4-6-11)9-12(10-13)7-2-3-8-14-12/h14H,2-9H2,1H3.
What are the key properties of 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile?
2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile is sourced from PubChem (CID 130601880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).