7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole

C14H18N2O — CID 79608893

IUPAC7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole
SMILESCc1cccc2nc(CC3CCNCC3)oc12
InChIInChI=1S/C14H18N2O/c1-10-3-2-4-12-14(10)17-13(16-12)9-11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3
InChIKeyAAKVVDJSAYAHBG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds2

About 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole

7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole (PubChem CID 79608893) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole
PubChem CID79608893
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole
SMILESCc1cccc2nc(CC3CCNCC3)oc12
InChIInChI=1S/C14H18N2O/c1-10-3-2-4-12-14(10)17-13(16-12)9-11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3
InChIKeyAAKVVDJSAYAHBG-UHFFFAOYSA-N
XLogP2.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 79601759
3-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-2-one
CID 79602397
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
5-methyl-4-(piperidin-4-ylmethyl)quinoline
CID 18365374
2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine
CID 79601565
1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
CID 79602491
2-(cyclobutylmethyl)-1,3-benzoxazole-7-carboxylic acid
CID 103167556
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
N-[(7-methyl-1,3-benzoxazol-2-yl)methyl]aniline
CID 79601457
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84802591

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole (CID 79608893) is 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole is Cc1cccc2nc(CC3CCNCC3)oc12.
What is the InChIKey of 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole?
The InChIKey is AAKVVDJSAYAHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-3-2-4-12-14(10)17-13(16-12)9-11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3.
What are the key properties of 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole?
7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 79608893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).