N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine

C13H17N3O — CID 115209518

IUPACN-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
SMILESc1nc2ccc(NCC3CCCNC3)cc2o1
InChIInChI=1S/C13H17N3O/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h3-4,6,9-10,14-15H,1-2,5,7-8H2
InChIKeyMLFHEZWYJHIPRH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds3

About N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine

N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine (PubChem CID 115209518) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
PubChem CID115209518
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
SMILESc1nc2ccc(NCC3CCCNC3)cc2o1
InChIInChI=1S/C13H17N3O/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h3-4,6,9-10,14-15H,1-2,5,7-8H2
InChIKeyMLFHEZWYJHIPRH-UHFFFAOYSA-N
XLogP2.24
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211281
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
2-chloro-5-(piperidin-3-ylmethylamino)benzoic acid
CID 80554039
N-(piperidin-3-ylmethyl)furo[3,2-c]pyridin-4-amine
CID 106535248
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210874
1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951296
6-(azetidin-3-ylmethyl)-1,3-benzoxazole
CID 116925337

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine (CID 115209518) is N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine is c1nc2ccc(NCC3CCCNC3)cc2o1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine?
The InChIKey is MLFHEZWYJHIPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h3-4,6,9-10,14-15H,1-2,5,7-8H2.
What are the key properties of N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine?
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115209518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).