1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C17H22N2 — CID 47013593

IUPAC1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1CCCc1ccccc1
InChIInChI=1S/C17H22N2/c1-15-17-10-6-12-19(17)14-13-18(15)11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12,15H,5,9,11,13-14H2,1H3
InChIKeyWILSKULQTPVQLR-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.50
Rot. Bonds4

About 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 47013593) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID47013593
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1CCCc1ccccc1
InChIInChI=1S/C17H22N2/c1-15-17-10-6-12-19(17)14-13-18(15)11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12,15H,5,9,11,13-14H2,1H3
InChIKeyWILSKULQTPVQLR-UHFFFAOYSA-N
XLogP3.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579777
(1S)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579774
(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol
CID 25339475
2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 94180479
2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 55411660
1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-amine
CID 89009612
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
2,3-dimethyl-1-(3-phenylpropyl)piperidin-4-amine
CID 79397057
hafnium;4-phenylbutylbenzene
CID 175889972
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
2-(bromomethyl)-3-methyl-1-(4-phenylbutyl)pyrrolidine
CID 102785255
2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
CID 175956808

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 47013593) is 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC1c2cccn2CCN1CCCc1ccccc1.
What is the InChIKey of 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WILSKULQTPVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-15-17-10-6-12-19(17)14-13-18(15)11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12,15H,5,9,11,13-14H2,1H3.
What are the key properties of 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 254.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 47013593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).