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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Related Compounds

2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile
CID 65494248
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 107160820
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495067
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659615
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]acetic acid
CID 65496326
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid
CID 81046821
2-[1-[(5,5-dimethyl-2-oxoazepan-1-yl)methyl]cyclopropyl]acetonitrile
CID 65493027
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66291202

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).