1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile

C15H26N2 — CID 126539994

IUPAC1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCC(C)(C)C1(C)CCN(CC2(C#N)CC2)CC1
InChIInChI=1S/C15H26N2/c1-13(2,3)14(4)7-9-17(10-8-14)12-15(11-16)5-6-15/h5-10,12H2,1-4H3
InChIKeyITKXBMDGRGJMJJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.44
Rot. Bonds2

About 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile

1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 126539994) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID126539994
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCC(C)(C)C1(C)CCN(CC2(C#N)CC2)CC1
InChIInChI=1S/C15H26N2/c1-13(2,3)14(4)7-9-17(10-8-14)12-15(11-16)5-6-15/h5-10,12H2,1-4H3
InChIKeyITKXBMDGRGJMJJ-UHFFFAOYSA-N
XLogP3.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile (CID 126539994) is 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile is CC(C)(C)C1(C)CCN(CC2(C#N)CC2)CC1.
What is the InChIKey of 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is ITKXBMDGRGJMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2,3)14(4)7-9-17(10-8-14)12-15(11-16)5-6-15/h5-10,12H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile?
1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 126539994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).