2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile

C17H30N2 — CID 55166035

IUPAC2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile
SMILESCCC1(CC)CCN(C2CCCCCC2C#N)CC1
InChIInChI=1S/C17H30N2/c1-3-17(4-2)10-12-19(13-11-17)16-9-7-5-6-8-15(16)14-18/h15-16H,3-13H2,1-2H3
InChIKeyQETBAAPOJCKHDZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.36
Rot. Bonds3

About 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile

2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile (PubChem CID 55166035) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile
PubChem CID55166035
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile
SMILESCCC1(CC)CCN(C2CCCCCC2C#N)CC1
InChIInChI=1S/C17H30N2/c1-3-17(4-2)10-12-19(13-11-17)16-9-7-5-6-8-15(16)14-18/h15-16H,3-13H2,1-2H3
InChIKeyQETBAAPOJCKHDZ-UHFFFAOYSA-N
XLogP4.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile (CID 55166035) is 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile is CCC1(CC)CCN(C2CCCCCC2C#N)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile?
The InChIKey is QETBAAPOJCKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-17(4-2)10-12-19(13-11-17)16-9-7-5-6-8-15(16)14-18/h15-16H,3-13H2,1-2H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile?
2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile has a molecular weight of 262.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 55166035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).