piperidine-2-carbonitrile

C6H10N2 — CID 71315056

IUPACpiperidine-2-carbonitrile
SMILESN#[13C]C1CCCCN1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/i5+1
InChIKeyYAVXLTMRALFZIS-HOSYLAQJSA-N
MW111.15 g/mol
LogP0.65
Rot. Bonds

About piperidine-2-carbonitrile

piperidine-2-carbonitrile (PubChem CID 71315056) has the molecular formula C6H10N2 and a molecular weight of 111.15 g/mol. Its IUPAC name is piperidine-2-carbonitrile.

Molecular Properties

Compound Namepiperidine-2-carbonitrile
PubChem CID71315056
Molecular FormulaC6H10N2
Molecular Weight111.15 g/mol
Exact Mass111.09
IUPAC Namepiperidine-2-carbonitrile
SMILESN#[13C]C1CCCCN1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/i5+1
InChIKeyYAVXLTMRALFZIS-HOSYLAQJSA-N
XLogP0.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile
CID 177385801
(2S)-pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 21080203
(2R)-azetidine-2-carbonitrile;oxalic acid
CID 163197852
bis((2S)-azetidine-2-carbonitrile);oxalic acid
CID 127263309
5-amino-5-cycloheptylazepane-2-carbonitrile
CID 142047999
(2S)-azetidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 174211158
4-methylpiperidine-2-carbonitrile
CID 18928247
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline-2-carbonitrile
CID 102538485
piperidin-2-ylmethylcyanamide
CID 105428074
4-ethylpiperidine-2-carbonitrile
CID 56972748
2-methylpiperidine
CID 7974

Frequently Asked Questions

What is the IUPAC name of piperidine-2-carbonitrile?
The IUPAC name of piperidine-2-carbonitrile (CID 71315056) is piperidine-2-carbonitrile.
What is the SMILES notation for piperidine-2-carbonitrile?
The canonical SMILES for piperidine-2-carbonitrile is N#[13C]C1CCCCN1.
What is the InChIKey of piperidine-2-carbonitrile?
The InChIKey is YAVXLTMRALFZIS-HOSYLAQJSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/i5+1.
What are the key properties of piperidine-2-carbonitrile?
piperidine-2-carbonitrile has a molecular weight of 111.15 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2-carbonitrile is sourced from PubChem (CID 71315056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).