2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile

C13H22N2 — CID 65492809

IUPAC2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCC1(C)CCCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C13H22N2/c1-12(2)4-3-9-15(10-12)11-13(5-6-13)7-8-14/h3-7,9-11H2,1-2H3
InChIKeyVVNDFXGGGQMTEG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65492809) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65492809
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCC1(C)CCCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C13H22N2/c1-12(2)4-3-9-15(10-12)11-13(5-6-13)7-8-14/h3-7,9-11H2,1-2H3
InChIKeyVVNDFXGGGQMTEG-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65492809) is 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile is CC1(C)CCCN(CC2(CC#N)CC2)C1.
What is the InChIKey of 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is VVNDFXGGGQMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2)4-3-9-15(10-12)11-13(5-6-13)7-8-14/h3-7,9-11H2,1-2H3.
What are the key properties of 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65492809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).