N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine

C16H23N3O — CID 63637335

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C16H23N3O/c1-2-10-19(13-6-5-9-17-11-13)12-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
InChIKeySBMKWMCDXPZSKY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds5

About N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine

N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine (PubChem CID 63637335) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
PubChem CID63637335
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C16H23N3O/c1-2-10-19(13-6-5-9-17-11-13)12-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
InChIKeySBMKWMCDXPZSKY-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032
N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637511
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
CID 60967481
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
CID 79240498
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
CID 63637151

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine (CID 63637335) is N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine is CCCN(Cc1nc2ccccc2o1)C1CCCNC1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine?
The InChIKey is SBMKWMCDXPZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-19(13-6-5-9-17-11-13)12-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine?
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine has a molecular weight of 273.38 g/mol, XLogP of 2.79, 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-propylpiperidin-3-amine is sourced from PubChem (CID 63637335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).