7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C14H21N3O — CID 153376496

IUPAC7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESC[C@@H](c1cnc2c(c1)OCCN2)N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-11(17-6-3-2-4-7-17)12-9-13-14(16-10-12)15-5-8-18-13/h9-11H,2-8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyBFWNPNTZMSBVJG-NSHDSACASA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds2

About 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 153376496) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID153376496
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESC[C@@H](c1cnc2c(c1)OCCN2)N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-11(17-6-3-2-4-7-17)12-9-13-14(16-10-12)15-5-8-18-13/h9-11H,2-8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyBFWNPNTZMSBVJG-NSHDSACASA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 153376496) is 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is C[C@@H](c1cnc2c(c1)OCCN2)N1CCCCC1.
What is the InChIKey of 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is BFWNPNTZMSBVJG-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(17-6-3-2-4-7-17)12-9-13-14(16-10-12)15-5-8-18-13/h9-11H,2-8H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 247.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 153376496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).