3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile

C10H16N4 — CID 162706867

IUPAC3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(NCC#N)CC1
InChIInChI=1S/C10H16N4/c11-4-1-7-14-8-2-10(3-9-14)13-6-5-12/h10,13H,1-3,6-9H2
InChIKeyXCHBFNKVNSZMGP-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.48
Rot. Bonds4

About 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile

3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile (PubChem CID 162706867) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
PubChem CID162706867
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(NCC#N)CC1
InChIInChI=1S/C10H16N4/c11-4-1-7-14-8-2-10(3-9-14)13-6-5-12/h10,13H,1-3,6-9H2
InChIKeyXCHBFNKVNSZMGP-UHFFFAOYSA-N
XLogP0.48
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
CID 115307297
3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile
CID 115348021
N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 23551843
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136
1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47314367
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618
3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
CID 28728184
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587
3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
CID 3050145

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile (CID 162706867) is 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile is N#CCCN1CCC(NCC#N)CC1.
What is the InChIKey of 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile?
The InChIKey is XCHBFNKVNSZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-4-1-7-14-8-2-10(3-9-14)13-6-5-12/h10,13H,1-3,6-9H2.
What are the key properties of 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile?
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile has a molecular weight of 192.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 162706867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).