(3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C21H33N3O2 — CID 132765244

IUPAC(3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCc1ccccc1N1CCC(O)(CN2CC3C[C@@H](O)CN3C[C@@H]2C)CC1
InChIInChI=1S/C21H33N3O2/c1-16-5-3-4-6-20(16)22-9-7-21(26,8-10-22)15-24-13-18-11-19(25)14-23(18)12-17(24)2/h3-6,17-19,25-26H,7-15H2,1-2H3/t17-,18?,19+/m0/s1
InChIKeyBWXMXPGGQLGHTC-LJJQOFDWSA-N
MW359.51 g/mol
LogP1.47
Rot. Bonds3

About (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 132765244) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID132765244
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCc1ccccc1N1CCC(O)(CN2CC3C[C@@H](O)CN3C[C@@H]2C)CC1
InChIInChI=1S/C21H33N3O2/c1-16-5-3-4-6-20(16)22-9-7-21(26,8-10-22)15-24-13-18-11-19(25)14-23(18)12-17(24)2/h3-6,17-19,25-26H,7-15H2,1-2H3/t17-,18?,19+/m0/s1
InChIKeyBWXMXPGGQLGHTC-LJJQOFDWSA-N
XLogP1.47
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
(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
(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide
CID 125009473
(3R,7R,8aS)-3-methyl-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857033
(3S,7R)-2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211401
(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
(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
(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
(3S,7R)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225834
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
(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-[(3,4-dichlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792254

Frequently Asked Questions

What is the IUPAC name of (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 132765244) is (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is Cc1ccccc1N1CCC(O)(CN2CC3C[C@@H](O)CN3C[C@@H]2C)CC1.
What is the InChIKey of (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is BWXMXPGGQLGHTC-LJJQOFDWSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16-5-3-4-6-20(16)22-9-7-21(26,8-10-22)15-24-13-18-11-19(25)14-23(18)12-17(24)2/h3-6,17-19,25-26H,7-15H2,1-2H3/t17-,18?,19+/m0/s1.
What are the key properties of (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 359.51 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-2-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 132765244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).