1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile

C12H17N3 — CID 65496491

IUPAC1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
SMILESN#CCC1(CN2CCCCC2C#N)CC1
InChIInChI=1S/C12H17N3/c13-7-6-12(4-5-12)10-15-8-2-1-3-11(15)9-14/h11H,1-6,8,10H2
InChIKeyTWPHQVIBIHQABK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.06
Rot. Bonds3

About 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile

1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile (PubChem CID 65496491) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
PubChem CID65496491
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
SMILESN#CCC1(CN2CCCCC2C#N)CC1
InChIInChI=1S/C12H17N3/c13-7-6-12(4-5-12)10-15-8-2-1-3-11(15)9-14/h11H,1-6,8,10H2
InChIKeyTWPHQVIBIHQABK-UHFFFAOYSA-N
XLogP2.06
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(cyanomethyl)cyclopropyl]methyl]azepane-2-carboxylic acid
CID 65497182
1-(trimethylsilylmethyl)piperidine-2-carbonitrile
CID 101060523
2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile
CID 65494869
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495067
2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66291202
2-[1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 112622488
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65492809
2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
CID 129269333
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]acetic acid
CID 65496326

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
The IUPAC name of 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile (CID 65496491) is 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile.
What is the SMILES notation for 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
The canonical SMILES for 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile is N#CCC1(CN2CCCCC2C#N)CC1.
What is the InChIKey of 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
The InChIKey is TWPHQVIBIHQABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-7-6-12(4-5-12)10-15-8-2-1-3-11(15)9-14/h11H,1-6,8,10H2.
What are the key properties of 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile is sourced from PubChem (CID 65496491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).