N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine

C17H25N3O — CID 79703555

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1nc2ccccc2o1)CC1CCNCC1
InChIInChI=1S/C17H25N3O/c1-13(2)20(11-14-7-9-18-10-8-14)12-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyPIRRNYKOXDQPAE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.04
Rot. Bonds5

About N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine

N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79703555) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79703555
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1nc2ccccc2o1)CC1CCNCC1
InChIInChI=1S/C17H25N3O/c1-13(2)20(11-14-7-9-18-10-8-14)12-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyPIRRNYKOXDQPAE-UHFFFAOYSA-N
XLogP3.04
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79703555) is N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(Cc1nc2ccccc2o1)CC1CCNCC1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is PIRRNYKOXDQPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20(11-14-7-9-18-10-8-14)12-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79703555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).