1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine

C17H25N3O — CID 82167787

IUPAC1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine
SMILESCCC(N)CN1CCC(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C17H25N3O/c1-3-14(18)11-20-8-6-13(7-9-20)17-19-15-10-12(2)4-5-16(15)21-17/h4-5,10,13-14H,3,6-9,11,18H2,1-2H3
InChIKeyQUXMTHAJWRWOHC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine

1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine (PubChem CID 82167787) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine
PubChem CID82167787
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine
SMILESCCC(N)CN1CCC(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C17H25N3O/c1-3-14(18)11-20-8-6-13(7-9-20)17-19-15-10-12(2)4-5-16(15)21-17/h4-5,10,13-14H,3,6-9,11,18H2,1-2H3
InChIKeyQUXMTHAJWRWOHC-UHFFFAOYSA-N
XLogP3.05
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine?
The IUPAC name of 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine (CID 82167787) is 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine?
The canonical SMILES for 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine is CCC(N)CN1CCC(c2nc3cc(C)ccc3o2)CC1.
What is the InChIKey of 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine?
The InChIKey is QUXMTHAJWRWOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-14(18)11-20-8-6-13(7-9-20)17-19-15-10-12(2)4-5-16(15)21-17/h4-5,10,13-14H,3,6-9,11,18H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine?
1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine is sourced from PubChem (CID 82167787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).