N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine

C15H21N3O — CID 115118528

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine
SMILESCN(CCc1ccc2ncoc2c1)C1CCNCC1
InChIInChI=1S/C15H21N3O/c1-18(13-4-7-16-8-5-13)9-6-12-2-3-14-15(10-12)19-11-17-14/h2-3,10-11,13,16H,4-9H2,1H3
InChIKeyOOJGVFWPZCTJQV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine

N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 115118528) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine
PubChem CID115118528
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine
SMILESCN(CCc1ccc2ncoc2c1)C1CCNCC1
InChIInChI=1S/C15H21N3O/c1-18(13-4-7-16-8-5-13)9-6-12-2-3-14-15(10-12)19-11-17-14/h2-3,10-11,13,16H,4-9H2,1H3
InChIKeyOOJGVFWPZCTJQV-UHFFFAOYSA-N
XLogP2.05
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
CID 115229523
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210874
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-cyano-N-methylformamide
CID 115172688
6-(azetidin-3-ylmethyl)-1,3-benzoxazole
CID 116925337
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
6-(piperidin-4-ylmethoxy)-1,3-benzoxazole
CID 84695642
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
CID 116845001
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine (CID 115118528) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine is CN(CCc1ccc2ncoc2c1)C1CCNCC1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is OOJGVFWPZCTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(13-4-7-16-8-5-13)9-6-12-2-3-14-15(10-12)19-11-17-14/h2-3,10-11,13,16H,4-9H2,1H3.
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 115118528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).