4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

C18H35N3 — CID 64726725

IUPAC4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC1(CC)CCN(C(C)CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C18H35N3/c1-7-18(8-2)9-11-21(12-10-18)16(5)13-17(6,14-19)20-15(3)4/h15-16,20H,7-13H2,1-6H3
InChIKeyXBAHBAHJVQMIHD-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.95
Rot. Bonds7

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

4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64726725) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64726725
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC1(CC)CCN(C(C)CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C18H35N3/c1-7-18(8-2)9-11-21(12-10-18)16(5)13-17(6,14-19)20-15(3)4/h15-16,20H,7-13H2,1-6H3
InChIKeyXBAHBAHJVQMIHD-UHFFFAOYSA-N
XLogP3.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64726725) is 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is CCC1(CC)CCN(C(C)CC(C)(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is XBAHBAHJVQMIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-18(8-2)9-11-21(12-10-18)16(5)13-17(6,14-19)20-15(3)4/h15-16,20H,7-13H2,1-6H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 293.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64726725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).