N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine

C16H25N3O — CID 62545756

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CC2CNc3ccccc3O2)C1
InChIInChI=1S/C16H25N3O/c1-18-9-5-6-13(11-18)19(2)12-14-10-17-15-7-3-4-8-16(15)20-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3
InChIKeyPOEJXIRZTIBAJO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.89
Rot. Bonds3

About N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine (PubChem CID 62545756) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine
PubChem CID62545756
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CC2CNc3ccccc3O2)C1
InChIInChI=1S/C16H25N3O/c1-18-9-5-6-13(11-18)19(2)12-14-10-17-15-7-3-4-8-16(15)20-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3
InChIKeyPOEJXIRZTIBAJO-UHFFFAOYSA-N
XLogP1.89
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine (CID 62545756) is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)CC2CNc3ccccc3O2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine?
The InChIKey is POEJXIRZTIBAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-9-5-6-13(11-18)19(2)12-14-10-17-15-7-3-4-8-16(15)20-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine?
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine has a molecular weight of 275.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 62545756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).