5-(piperidin-2-ylmethyl)-1,2-benzoxazole

C13H16N2O — CID 117308308

IUPAC5-(piperidin-2-ylmethyl)-1,2-benzoxazole
SMILESc1cc2oncc2cc1CC1CCCCN1
InChIInChI=1S/C13H16N2O/c1-2-6-14-12(3-1)8-10-4-5-13-11(7-10)9-15-16-13/h4-5,7,9,12,14H,1-3,6,8H2
InChIKeySRJJCODSYBKBET-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds2

About 5-(piperidin-2-ylmethyl)-1,2-benzoxazole

5-(piperidin-2-ylmethyl)-1,2-benzoxazole (PubChem CID 117308308) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(piperidin-2-ylmethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-(piperidin-2-ylmethyl)-1,2-benzoxazole
PubChem CID117308308
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(piperidin-2-ylmethyl)-1,2-benzoxazole
SMILESc1cc2oncc2cc1CC1CCCCN1
InChIInChI=1S/C13H16N2O/c1-2-6-14-12(3-1)8-10-4-5-13-11(7-10)9-15-16-13/h4-5,7,9,12,14H,1-3,6,8H2
InChIKeySRJJCODSYBKBET-UHFFFAOYSA-N
XLogP2.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
CID 117331068
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
7-(piperidin-2-ylmethyl)-4-(trifluoromethyl)isoquinoline
CID 117474742
4-tert-butyl-7-(piperidin-2-ylmethyl)isoquinoline
CID 117454055
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
5-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 82279461
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
6-(pyrrolidin-2-ylmethyl)-2,1-benzoxazole
CID 84776812
2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117490561
6-(pyrrolidin-3-ylmethyl)-1,2-benzoxazole
CID 84776800

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-2-ylmethyl)-1,2-benzoxazole?
The IUPAC name of 5-(piperidin-2-ylmethyl)-1,2-benzoxazole (CID 117308308) is 5-(piperidin-2-ylmethyl)-1,2-benzoxazole.
What is the SMILES notation for 5-(piperidin-2-ylmethyl)-1,2-benzoxazole?
The canonical SMILES for 5-(piperidin-2-ylmethyl)-1,2-benzoxazole is c1cc2oncc2cc1CC1CCCCN1.
What is the InChIKey of 5-(piperidin-2-ylmethyl)-1,2-benzoxazole?
The InChIKey is SRJJCODSYBKBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-6-14-12(3-1)8-10-4-5-13-11(7-10)9-15-16-13/h4-5,7,9,12,14H,1-3,6,8H2.
What are the key properties of 5-(piperidin-2-ylmethyl)-1,2-benzoxazole?
5-(piperidin-2-ylmethyl)-1,2-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-2-ylmethyl)-1,2-benzoxazole is sourced from PubChem (CID 117308308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).