1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine

C14H27N3O — CID 67523814

IUPAC1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine
SMILESNC1CCN(C[C@@H]2CCCN3CCOC[C@H]23)CC1
InChIInChI=1S/C14H27N3O/c15-13-3-6-16(7-4-13)10-12-2-1-5-17-8-9-18-11-14(12)17/h12-14H,1-11,15H2/t12-,14+/m0/s1
InChIKeyAHZOJVBUPHWAQP-GXTWGEPZSA-N
MW253.39 g/mol
LogP0.52
Rot. Bonds2

About 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine

1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine (PubChem CID 67523814) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine
PubChem CID67523814
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine
SMILESNC1CCN(C[C@@H]2CCCN3CCOC[C@H]23)CC1
InChIInChI=1S/C14H27N3O/c15-13-3-6-16(7-4-13)10-12-2-1-5-17-8-9-18-11-14(12)17/h12-14H,1-11,15H2/t12-,14+/m0/s1
InChIKeyAHZOJVBUPHWAQP-GXTWGEPZSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine (CID 67523814) is 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine is NC1CCN(C[C@@H]2CCCN3CCOC[C@H]23)CC1.
What is the InChIKey of 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine?
The InChIKey is AHZOJVBUPHWAQP-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H27N3O/c15-13-3-6-16(7-4-13)10-12-2-1-5-17-8-9-18-11-14(12)17/h12-14H,1-11,15H2/t12-,14+/m0/s1.
What are the key properties of 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine?
1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine has a molecular weight of 253.39 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(9S,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 67523814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).