3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole

C16H20N2O — CID 68920941

IUPAC3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole
SMILESCC=Cc1c(N2CCCCC2)ccc2c(C)noc12
InChIInChI=1S/C16H20N2O/c1-3-7-14-15(18-10-5-4-6-11-18)9-8-13-12(2)17-19-16(13)14/h3,7-9H,4-6,10-11H2,1-2H3
InChIKeyFEGQXHCZCYUTPN-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.16
Rot. Bonds2

About 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole

3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole (PubChem CID 68920941) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole
PubChem CID68920941
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole
SMILESCC=Cc1c(N2CCCCC2)ccc2c(C)noc12
InChIInChI=1S/C16H20N2O/c1-3-7-14-15(18-10-5-4-6-11-18)9-8-13-12(2)17-19-16(13)14/h3,7-9H,4-6,10-11H2,1-2H3
InChIKeyFEGQXHCZCYUTPN-UHFFFAOYSA-N
XLogP4.16
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole?
The IUPAC name of 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole (CID 68920941) is 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole.
What is the SMILES notation for 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole?
The canonical SMILES for 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole is CC=Cc1c(N2CCCCC2)ccc2c(C)noc12.
What is the InChIKey of 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole?
The InChIKey is FEGQXHCZCYUTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-7-14-15(18-10-5-4-6-11-18)9-8-13-12(2)17-19-16(13)14/h3,7-9H,4-6,10-11H2,1-2H3.
What are the key properties of 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole?
3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole has a molecular weight of 256.35 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-1-yl-7-prop-1-enyl-1,2-benzoxazole is sourced from PubChem (CID 68920941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).