2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine

C18H28N2O — CID 82340228

IUPAC2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
SMILESCCCN1CC(C)Oc2ccc(CC3CCCNC3)cc21
InChIInChI=1S/C18H28N2O/c1-3-9-20-13-14(2)21-18-7-6-15(11-17(18)20)10-16-5-4-8-19-12-16/h6-7,11,14,16,19H,3-5,8-10,12-13H2,1-2H3
InChIKeyHNAMVCQKLUDONA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine

2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 82340228) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
PubChem CID82340228
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
SMILESCCCN1CC(C)Oc2ccc(CC3CCCNC3)cc21
InChIInChI=1S/C18H28N2O/c1-3-9-20-13-14(2)21-18-7-6-15(11-17(18)20)10-16-5-4-8-19-12-16/h6-7,11,14,16,19H,3-5,8-10,12-13H2,1-2H3
InChIKeyHNAMVCQKLUDONA-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(piperidin-3-ylmethyl)-3H-1,4-benzoxazin-2-one;hydrochloride
CID 68949647
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 82340146
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-methyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-one
CID 82498141
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine (CID 82340228) is 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine is CCCN1CC(C)Oc2ccc(CC3CCCNC3)cc21.
What is the InChIKey of 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is HNAMVCQKLUDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-9-20-13-14(2)21-18-7-6-15(11-17(18)20)10-16-5-4-8-19-12-16/h6-7,11,14,16,19H,3-5,8-10,12-13H2,1-2H3.
What are the key properties of 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 288.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 82340228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).