2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine

C17H29N5 — CID 90719795

IUPAC2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESCC(C)N1CCN(c2cncc(CN3CCCCC3)n2)CC1
InChIInChI=1S/C17H29N5/c1-15(2)21-8-10-22(11-9-21)17-13-18-12-16(19-17)14-20-6-4-3-5-7-20/h12-13,15H,3-11,14H2,1-2H3
InChIKeyJCQMIGXOUHSDPK-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.99
Rot. Bonds4

About 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine

2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine (PubChem CID 90719795) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
PubChem CID90719795
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESCC(C)N1CCN(c2cncc(CN3CCCCC3)n2)CC1
InChIInChI=1S/C17H29N5/c1-15(2)21-8-10-22(11-9-21)17-13-18-12-16(19-17)14-20-6-4-3-5-7-20/h12-13,15H,3-11,14H2,1-2H3
InChIKeyJCQMIGXOUHSDPK-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Modaline
CID 17860
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
6-(2-Methylpiperidinyl)-2-pyrazinecarbothioamide
CID 3000614
N'-hydroxy-6-(2-methyl-1-piperidyl)pyrazine-2-carboxamidine
CID 135508898
2-Methyl-6-piperidin-1-ylpyrazine
CID 68348554
1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 77081273
2-(4,4-Difluoropiperidin-1-yl)-6-methylpyrazine
CID 90265145
CID 156473528
CID 156473528
(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidin-3-amine
CID 156473747
2-(3-Fluoropiperidin-1-yl)-5-methylpyrazine
CID 156752781

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine (CID 90719795) is 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine is CC(C)N1CCN(c2cncc(CN3CCCCC3)n2)CC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is JCQMIGXOUHSDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-15(2)21-8-10-22(11-9-21)17-13-18-12-16(19-17)14-20-6-4-3-5-7-20/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 303.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 90719795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).