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

C10H19N3 — CID 63597136

IUPAC3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
SMILESCC(N)C1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3/c1-9(12)10-3-7-13(8-4-10)6-2-5-11/h9-10H,2-4,6-8,12H2,1H3
InChIKeyMHRNFEFCSJBXRN-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.96
Rot. Bonds3

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

3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile (PubChem CID 63597136) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
PubChem CID63597136
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
SMILESCC(N)C1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3/c1-9(12)10-3-7-13(8-4-10)6-2-5-11/h9-10H,2-4,6-8,12H2,1H3
InChIKeyMHRNFEFCSJBXRN-UHFFFAOYSA-N
XLogP0.96
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 176666593
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306
1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 63597070
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 55260993
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile (CID 63597136) is 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile is CC(N)C1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile?
The InChIKey is MHRNFEFCSJBXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(12)10-3-7-13(8-4-10)6-2-5-11/h9-10H,2-4,6-8,12H2,1H3.
What are the key properties of 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile?
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 63597136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).