2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile

C14H24N2O — CID 67965095

IUPAC2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC(C)C1CN(C2(CC#N)COC2)CCC1C
InChIInChI=1S/C14H24N2O/c1-11(2)13-8-16(7-4-12(13)3)14(5-6-15)9-17-10-14/h11-13H,4-5,7-10H2,1-3H3
InChIKeyPWZABCVCPWTXSI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds3

About 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile

2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile (PubChem CID 67965095) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
PubChem CID67965095
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC(C)C1CN(C2(CC#N)COC2)CCC1C
InChIInChI=1S/C14H24N2O/c1-11(2)13-8-16(7-4-12(13)3)14(5-6-15)9-17-10-14/h11-13H,4-5,7-10H2,1-3H3
InChIKeyPWZABCVCPWTXSI-UHFFFAOYSA-N
XLogP2.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The IUPAC name of 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile (CID 67965095) is 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile is CC(C)C1CN(C2(CC#N)COC2)CCC1C.
What is the InChIKey of 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The InChIKey is PWZABCVCPWTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13-8-16(7-4-12(13)3)14(5-6-15)9-17-10-14/h11-13H,4-5,7-10H2,1-3H3.
What are the key properties of 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile is sourced from PubChem (CID 67965095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).