3-[3-(methylamino)piperidin-1-yl]butanenitrile

C10H19N3 — CID 62547428

IUPAC3-[3-(methylamino)piperidin-1-yl]butanenitrile
SMILESCNC1CCCN(C(C)CC#N)C1
InChIInChI=1S/C10H19N3/c1-9(5-6-11)13-7-3-4-10(8-13)12-2/h9-10,12H,3-5,7-8H2,1-2H3
InChIKeyVCJNKHMZYYKEQF-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.97
Rot. Bonds3

About 3-[3-(methylamino)piperidin-1-yl]butanenitrile

3-[3-(methylamino)piperidin-1-yl]butanenitrile (PubChem CID 62547428) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]butanenitrile
PubChem CID62547428
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[3-(methylamino)piperidin-1-yl]butanenitrile
SMILESCNC1CCCN(C(C)CC#N)C1
InChIInChI=1S/C10H19N3/c1-9(5-6-11)13-7-3-4-10(8-13)12-2/h9-10,12H,3-5,7-8H2,1-2H3
InChIKeyVCJNKHMZYYKEQF-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidin-1-yl]butanenitrile?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]butanenitrile (CID 62547428) is 3-[3-(methylamino)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]butanenitrile?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]butanenitrile is CNC1CCCN(C(C)CC#N)C1.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]butanenitrile?
The InChIKey is VCJNKHMZYYKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(5-6-11)13-7-3-4-10(8-13)12-2/h9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]butanenitrile?
3-[3-(methylamino)piperidin-1-yl]butanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 62547428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).