(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile

C14H24N2O — CID 170926205

IUPAC(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
SMILESCC(C)OCC1(CN2CCCC[C@H]2C#N)CC1
InChIInChI=1S/C14H24N2O/c1-12(2)17-11-14(6-7-14)10-16-8-4-3-5-13(16)9-15/h12-13H,3-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBGKZGMCVJNMOQF-ZDUSSCGKSA-N
MW236.36 g/mol
LogP2.57
Rot. Bonds5

About (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile

(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile (PubChem CID 170926205) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
PubChem CID170926205
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
SMILESCC(C)OCC1(CN2CCCC[C@H]2C#N)CC1
InChIInChI=1S/C14H24N2O/c1-12(2)17-11-14(6-7-14)10-16-8-4-3-5-13(16)9-15/h12-13H,3-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBGKZGMCVJNMOQF-ZDUSSCGKSA-N
XLogP2.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
The IUPAC name of (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile (CID 170926205) is (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile is CC(C)OCC1(CN2CCCC[C@H]2C#N)CC1.
What is the InChIKey of (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
The InChIKey is BGKZGMCVJNMOQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)17-11-14(6-7-14)10-16-8-4-3-5-13(16)9-15/h12-13H,3-8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile?
(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile is sourced from PubChem (CID 170926205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).