4-deuteriopiperidine-4-carbonitrile

C6H10N2 — CID 171780167

IUPAC4-deuteriopiperidine-4-carbonitrile
SMILES[2H]C1(C#N)CCNCC1
InChIInChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2/i6D
InChIKeyFSDNTQSJGHSJBG-RAMDWTOOSA-N
MW111.17 g/mol
LogP0.51
Rot. Bonds

About 4-deuteriopiperidine-4-carbonitrile

4-deuteriopiperidine-4-carbonitrile (PubChem CID 171780167) has the molecular formula C6H10N2 and a molecular weight of 111.17 g/mol. Its IUPAC name is 4-deuteriopiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-deuteriopiperidine-4-carbonitrile
PubChem CID171780167
Molecular FormulaC6H10N2
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name4-deuteriopiperidine-4-carbonitrile
SMILES[2H]C1(C#N)CCNCC1
InChIInChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2/i6D
InChIKeyFSDNTQSJGHSJBG-RAMDWTOOSA-N
XLogP0.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-azepane-4-carbonitrile;hydrochloride
CID 171641118
ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride
CID 177208929
2-(piperidin-4-ylamino)acetonitrile
CID 166940241
4-imino-8-azaspiro[4.5]decane-1-carbonitrile
CID 18403960
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
piperidine-4-carbonitrile;toluene
CID 174346511
cyanamide;piperazine
CID 87191192
2,2-difluoropiperidine-3-carbonitrile
CID 142278530
(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate
CID 175372401
(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
CID 118533847
(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148

Frequently Asked Questions

What is the IUPAC name of 4-deuteriopiperidine-4-carbonitrile?
The IUPAC name of 4-deuteriopiperidine-4-carbonitrile (CID 171780167) is 4-deuteriopiperidine-4-carbonitrile.
What is the SMILES notation for 4-deuteriopiperidine-4-carbonitrile?
The canonical SMILES for 4-deuteriopiperidine-4-carbonitrile is [2H]C1(C#N)CCNCC1.
What is the InChIKey of 4-deuteriopiperidine-4-carbonitrile?
The InChIKey is FSDNTQSJGHSJBG-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2/i6D.
What are the key properties of 4-deuteriopiperidine-4-carbonitrile?
4-deuteriopiperidine-4-carbonitrile has a molecular weight of 111.17 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuteriopiperidine-4-carbonitrile is sourced from PubChem (CID 171780167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).