3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol

C19H30N2O — CID 70790327

IUPAC3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
SMILESCC(C)C1CN2CC(C)[C@](C)(c3cccc(O)c3)CC2CN1
InChIInChI=1S/C19H30N2O/c1-13(2)18-12-21-11-14(3)19(4,9-16(21)10-20-18)15-6-5-7-17(22)8-15/h5-8,13-14,16,18,20,22H,9-12H2,1-4H3/t14?,16?,18?,19-/m1/s1
InChIKeyBTRFDIDXXQFHRA-HBOFVWQASA-N
MW302.46 g/mol
LogP2.99
Rot. Bonds2

About 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol

3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol (PubChem CID 70790327) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol.

Molecular Properties

Compound Name3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
PubChem CID70790327
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
SMILESCC(C)C1CN2CC(C)[C@](C)(c3cccc(O)c3)CC2CN1
InChIInChI=1S/C19H30N2O/c1-13(2)18-12-21-11-14(3)19(4,9-16(21)10-20-18)15-6-5-7-17(22)8-15/h5-8,13-14,16,18,20,22H,9-12H2,1-4H3/t14?,16?,18?,19-/m1/s1
InChIKeyBTRFDIDXXQFHRA-HBOFVWQASA-N
XLogP2.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
The IUPAC name of 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol (CID 70790327) is 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol.
What is the SMILES notation for 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
The canonical SMILES for 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol is CC(C)C1CN2CC(C)[C@](C)(c3cccc(O)c3)CC2CN1.
What is the InChIKey of 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
The InChIKey is BTRFDIDXXQFHRA-HBOFVWQASA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)18-12-21-11-14(3)19(4,9-16(21)10-20-18)15-6-5-7-17(22)8-15/h5-8,13-14,16,18,20,22H,9-12H2,1-4H3/t14?,16?,18?,19-/m1/s1.
What are the key properties of 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol has a molecular weight of 302.46 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol is sourced from PubChem (CID 70790327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).