3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile

C12H23N3 — CID 63255646

IUPAC3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCCC1C(C)N
InChIInChI=1S/C12H23N3/c1-3-11(7-8-13)15-9-5-4-6-12(15)10(2)14/h10-12H,3-7,9,14H2,1-2H3
InChIKeyHYXBJGBDFHVUAJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.88
Rot. Bonds4

About 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile

3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile (PubChem CID 63255646) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile
PubChem CID63255646
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCCC1C(C)N
InChIInChI=1S/C12H23N3/c1-3-11(7-8-13)15-9-5-4-6-12(15)10(2)14/h10-12H,3-7,9,14H2,1-2H3
InChIKeyHYXBJGBDFHVUAJ-UHFFFAOYSA-N
XLogP1.88
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 115312813
3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
CID 63256046
3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
CID 103976557
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
CID 66260989
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
CID 130502556
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
3-(5-methyl-1,4-thiazepan-4-yl)pentanenitrile
CID 130805125
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63241803
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
1-(1-butan-2-ylpiperidin-2-yl)ethanol
CID 130747081

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile (CID 63255646) is 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile is CCC(CC#N)N1CCCCC1C(C)N.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile?
The InChIKey is HYXBJGBDFHVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-11(7-8-13)15-9-5-4-6-12(15)10(2)14/h10-12H,3-7,9,14H2,1-2H3.
What are the key properties of 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile?
3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 63255646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).