N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine

C14H19N3O — CID 115211281

IUPACN-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
SMILESc1nc2ccc(NCCC3CCCNC3)cc2o1
InChIInChI=1S/C14H19N3O/c1-2-11(9-15-6-1)5-7-16-12-3-4-13-14(8-12)18-10-17-13/h3-4,8,10-11,15-16H,1-2,5-7,9H2
InChIKeyPUHXTBSGGNLEPG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds4

About N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine

N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine (PubChem CID 115211281) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
PubChem CID115211281
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
SMILESc1nc2ccc(NCCC3CCCNC3)cc2o1
InChIInChI=1S/C14H19N3O/c1-2-11(9-15-6-1)5-7-16-12-3-4-13-14(8-12)18-10-17-13/h3-4,8,10-11,15-16H,1-2,5-7,9H2
InChIKeyPUHXTBSGGNLEPG-UHFFFAOYSA-N
XLogP2.63
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210874
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine (CID 115211281) is N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine is c1nc2ccc(NCCC3CCCNC3)cc2o1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The InChIKey is PUHXTBSGGNLEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-11(9-15-6-1)5-7-16-12-3-4-13-14(8-12)18-10-17-13/h3-4,8,10-11,15-16H,1-2,5-7,9H2.
What are the key properties of N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine has a molecular weight of 245.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115211281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).