2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile

C12H20N2O — CID 102954293

IUPAC2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
SMILESCC1CCNCC1OCC1(CC#N)CC1
InChIInChI=1S/C12H20N2O/c1-10-2-7-14-8-11(10)15-9-12(3-4-12)5-6-13/h10-11,14H,2-5,7-9H2,1H3
InChIKeyWOBKYDNNGZLGAO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile

2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile (PubChem CID 102954293) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
PubChem CID102954293
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
SMILESCC1CCNCC1OCC1(CC#N)CC1
InChIInChI=1S/C12H20N2O/c1-10-2-7-14-8-11(10)15-9-12(3-4-12)5-6-13/h10-11,14H,2-5,7-9H2,1H3
InChIKeyWOBKYDNNGZLGAO-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-pyrrolidin-3-ylethoxymethyl)cyclopropyl]acetonitrile
CID 114796160
2-(4-methylpiperidin-3-yl)oxypropanenitrile
CID 102954081
2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
CID 102930322
2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 79716528
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
CID 102954054
4-methyl-3-octoxypiperidine
CID 102954063
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]piperidine
CID 103135750
4-methyl-3-phenylmethoxypiperidine
CID 102954119
2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65497158
[1-(cyanomethyl)cyclopropyl]methyl 4-cyano-3-methylpiperidine-1-carboxylate
CID 167115889
3-hept-6-enoxy-4-methylpiperidine
CID 107007754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile (CID 102954293) is 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile is CC1CCNCC1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is WOBKYDNNGZLGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-2-7-14-8-11(10)15-9-12(3-4-12)5-6-13/h10-11,14H,2-5,7-9H2,1H3.
What are the key properties of 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile?
2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 102954293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).