4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

C15H29N3O — CID 64727272

IUPAC4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCOC1CCN(C(C)CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-15(4,11-16)10-13(3)18-8-6-14(19-5)7-9-18/h12-14,17H,6-10H2,1-5H3
InChIKeyKACXLOFNHAISOJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds6

About 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64727272) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64727272
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCOC1CCN(C(C)CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-15(4,11-16)10-13(3)18-8-6-14(19-5)7-9-18/h12-14,17H,6-10H2,1-5H3
InChIKeyKACXLOFNHAISOJ-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64727272) is 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is COC1CCN(C(C)CC(C)(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is KACXLOFNHAISOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)17-15(4,11-16)10-13(3)18-8-6-14(19-5)7-9-18/h12-14,17H,6-10H2,1-5H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64727272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).