3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile

C14H28N4 — CID 55174034

IUPAC3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C14H28N4/c1-4-7-16-14(10-15)12-18(3)11-13-5-8-17(2)9-6-13/h13-14,16H,4-9,11-12H2,1-3H3
InChIKeyKIQDOWLZTZIMDG-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.15
Rot. Bonds7

About 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile (PubChem CID 55174034) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile
PubChem CID55174034
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C14H28N4/c1-4-7-16-14(10-15)12-18(3)11-13-5-8-17(2)9-6-13/h13-14,16H,4-9,11-12H2,1-3H3
InChIKeyKIQDOWLZTZIMDG-UHFFFAOYSA-N
XLogP1.15
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile?
The IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile (CID 55174034) is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile?
The canonical SMILES for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile is CCCNC(C#N)CN(C)CC1CCN(C)CC1.
What is the InChIKey of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile?
The InChIKey is KIQDOWLZTZIMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-7-16-14(10-15)12-18(3)11-13-5-8-17(2)9-6-13/h13-14,16H,4-9,11-12H2,1-3H3.
What are the key properties of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile?
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile is sourced from PubChem (CID 55174034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).