2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile

C11H18N2O — CID 66245202

IUPAC2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CO[C@H]2CCCNC2)CC1
InChIInChI=1S/C11H18N2O/c12-6-5-11(3-4-11)9-14-10-2-1-7-13-8-10/h10,13H,1-5,7-9H2/t10-/m0/s1
InChIKeyWDVZAZPXZOQUSF-JTQLQIEISA-N
MW194.28 g/mol
LogP1.45
Rot. Bonds4

About 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile

2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile (PubChem CID 66245202) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile
PubChem CID66245202
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CO[C@H]2CCCNC2)CC1
InChIInChI=1S/C11H18N2O/c12-6-5-11(3-4-11)9-14-10-2-1-7-13-8-10/h10,13H,1-5,7-9H2/t10-/m0/s1
InChIKeyWDVZAZPXZOQUSF-JTQLQIEISA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile (CID 66245202) is 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile is N#CCC1(CO[C@H]2CCCNC2)CC1.
What is the InChIKey of 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is WDVZAZPXZOQUSF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O/c12-6-5-11(3-4-11)9-14-10-2-1-7-13-8-10/h10,13H,1-5,7-9H2/t10-/m0/s1.
What are the key properties of 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile?
2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3S)-piperidin-3-yl]oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66245202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).