(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol

C9H20N2O — CID 142143795

IUPAC(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
SMILESC1CCN2CCNC[C@H]2C1.CO
InChIInChI=1S/C8H16N2.CH4O/c1-2-5-10-6-4-9-7-8(10)3-1;1-2/h8-9H,1-7H2;2H,1H3/t8-;/m1./s1
InChIKeyOKVMZWGPNNWCKF-DDWIOCJRSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds

About (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol

(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol (PubChem CID 142143795) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol.

Molecular Properties

Compound Name(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
PubChem CID142143795
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
SMILESC1CCN2CCNC[C@H]2C1.CO
InChIInChI=1S/C8H16N2.CH4O/c1-2-5-10-6-4-9-7-8(10)3-1;1-2/h8-9H,1-7H2;2H,1H3/t8-;/m1./s1
InChIKeyOKVMZWGPNNWCKF-DDWIOCJRSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol?
The IUPAC name of (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol (CID 142143795) is (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol.
What is the SMILES notation for (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol?
The canonical SMILES for (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol is C1CCN2CCNC[C@H]2C1.CO.
What is the InChIKey of (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol?
The InChIKey is OKVMZWGPNNWCKF-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H16N2.CH4O/c1-2-5-10-6-4-9-7-8(10)3-1;1-2/h8-9H,1-7H2;2H,1H3/t8-;/m1./s1.
What are the key properties of (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol?
(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol is sourced from PubChem (CID 142143795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).