(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol

C18H24N2O2 — CID 25339475

IUPAC(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol
SMILESC[C@H]1c2cccn2CCN1C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-15-18-8-5-9-19(18)10-11-20(15)12-17(21)14-22-13-16-6-3-2-4-7-16/h2-9,15,17,21H,10-14H2,1H3/t15-,17+/m0/s1
InChIKeySHGKQKIAWWNAOX-DOTOQJQBSA-N
MW300.40 g/mol
LogP2.44
Rot. Bonds6

About (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol

(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 25339475) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol
PubChem CID25339475
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol
SMILESC[C@H]1c2cccn2CCN1C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-15-18-8-5-9-19(18)10-11-20(15)12-17(21)14-22-13-16-6-3-2-4-7-16/h2-9,15,17,21H,10-14H2,1H3/t15-,17+/m0/s1
InChIKeySHGKQKIAWWNAOX-DOTOQJQBSA-N
XLogP2.44
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxy]-3-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-ol
CID 129419971
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 115312774
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 115666599

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol (CID 25339475) is (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol is C[C@H]1c2cccn2CCN1C[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is SHGKQKIAWWNAOX-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-15-18-8-5-9-19(18)10-11-20(15)12-17(21)14-22-13-16-6-3-2-4-7-16/h2-9,15,17,21H,10-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 25339475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).