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

C14H19N3O — CID 62046745

IUPACN-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine
SMILESCC(Nc1nc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C14H19N3O/c1-10(11-5-4-8-15-9-11)16-14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyVXUDAPNHZSHDHP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds3

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

N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine (PubChem CID 62046745) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine
PubChem CID62046745
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine
SMILESCC(Nc1nc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C14H19N3O/c1-10(11-5-4-8-15-9-11)16-14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyVXUDAPNHZSHDHP-UHFFFAOYSA-N
XLogP2.63
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine
CID 22184580
N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
CID 115309571
2-N-(1-cyclohexylethyl)-1,3-benzoxazole-2,5-diamine
CID 79891040
4,6-dimethyl-N-(1-piperidin-3-ylethyl)pyrimidin-2-amine
CID 62044870
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
2-N-(1-cyclopropylethyl)-1,3-benzoxazole-2,5-diamine
CID 79885238
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
5-methyl-N-(1-piperidin-3-ylethyl)pyridin-2-amine
CID 62045704
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine (CID 62046745) is N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine is CC(Nc1nc2ccccc2o1)C1CCCNC1.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is VXUDAPNHZSHDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(11-5-4-8-15-9-11)16-14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine?
N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62046745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).