(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C17H26N2O — CID 95857055

IUPAC(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@@H]1CN2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1
InChIInChI=1S/C17H26N2O/c1-14-11-19-13-17(20)10-16(19)12-18(14)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,20H,5,8-13H2,1H3/t14-,16-,17-/m1/s1
InChIKeyFRDMDTTUQBHAQV-DJIMGWMZSA-N
MW274.41 g/mol
LogP1.76
Rot. Bonds4

About (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 95857055) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID95857055
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@@H]1CN2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1
InChIInChI=1S/C17H26N2O/c1-14-11-19-13-17(20)10-16(19)12-18(14)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,20H,5,8-13H2,1H3/t14-,16-,17-/m1/s1
InChIKeyFRDMDTTUQBHAQV-DJIMGWMZSA-N
XLogP1.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Related Compounds

(3R,7R,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857054
(3S,7R,8aR)-2-[(2-fluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95856971
(3S,7R)-3-methyl-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225830
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
(3S,7R,8aS)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857008
6-methyl-1-(3-phenylpropyl)piperidin-3-amine
CID 61238461
(3S,7R,8aR)-2-[(3,4-dichlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792254
(3S,7R)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211348
(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92604080
(3R,7R,8aR)-3-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792295
(3S,7R)-3-methyl-2-[(4-morpholin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211341
(3R,7R)-3-methyl-2-[(4-morpholin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211417

Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 95857055) is (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1CCCc1ccccc1.
What is the InChIKey of (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is FRDMDTTUQBHAQV-DJIMGWMZSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-11-19-13-17(20)10-16(19)12-18(14)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,20H,5,8-13H2,1H3/t14-,16-,17-/m1/s1.
What are the key properties of (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 274.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 95857055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).