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

C10H19N3 — CID 43430781

IUPAC3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
SMILESCN(C)C1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3/c1-12(2)10-4-8-13(9-5-10)7-3-6-11/h10H,3-5,7-9H2,1-2H3
InChIKeyWJZDNLZJXQNWHQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.93
Rot. Bonds3

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

3-[4-(dimethylamino)piperidin-1-yl]propanenitrile (PubChem CID 43430781) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
PubChem CID43430781
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
SMILESCN(C)C1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3/c1-12(2)10-4-8-13(9-5-10)7-3-6-11/h10H,3-5,7-9H2,1-2H3
InChIKeyWJZDNLZJXQNWHQ-UHFFFAOYSA-N
XLogP0.93
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile
CID 63027921
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618
3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
CID 3050145
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]acetonitrile
CID 43586007
3-[(3R)-3-ethynylpyrrolidin-1-yl]propanenitrile
CID 154661669
(1-bromo-2-cyanoethyl)-[1-(2-cyanoethyl)piperidin-4-yl]carbamic acid
CID 68668154

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile (CID 43430781) is 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile is CN(C)C1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile?
The InChIKey is WJZDNLZJXQNWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-12(2)10-4-8-13(9-5-10)7-3-6-11/h10H,3-5,7-9H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile?
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 43430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).