1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine

C18H26N4 — CID 56865842

IUPAC1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine
SMILESCc1cccnc1N1CCN(Cc2ccn(C(C)C)c2)CC1
InChIInChI=1S/C18H26N4/c1-15(2)22-8-6-17(14-22)13-20-9-11-21(12-10-20)18-16(3)5-4-7-19-18/h4-8,14-15H,9-13H2,1-3H3
InChIKeyGRPAPFOUCXBKGV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.09
Rot. Bonds4

About 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine

1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine (PubChem CID 56865842) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine
PubChem CID56865842
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine
SMILESCc1cccnc1N1CCN(Cc2ccn(C(C)C)c2)CC1
InChIInChI=1S/C18H26N4/c1-15(2)22-8-6-17(14-22)13-20-9-11-21(12-10-20)18-16(3)5-4-7-19-18/h4-8,14-15H,9-13H2,1-3H3
InChIKeyGRPAPFOUCXBKGV-UHFFFAOYSA-N
XLogP3.09
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
CID 70746652
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 56714731
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56894952
3-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
CID 42458383
1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperidin-4-ol
CID 171600518
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
CID 97472683

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine (CID 56865842) is 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine is Cc1cccnc1N1CCN(Cc2ccn(C(C)C)c2)CC1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine?
The InChIKey is GRPAPFOUCXBKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-15(2)22-8-6-17(14-22)13-20-9-11-21(12-10-20)18-16(3)5-4-7-19-18/h4-8,14-15H,9-13H2,1-3H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine?
1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine has a molecular weight of 298.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 56865842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).