N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine

C26H32N4 — CID 11395490

IUPACN-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1
InChIInChI=1S/C26H32N4/c1-2-9-24(22-10-5-3-6-11-22)28-26-19-27-18-25(29-26)23-14-12-21(13-15-23)20-30-16-7-4-8-17-30/h3,5-6,10-15,18-19,24H,2,4,7-9,16-17,20H2,1H3,(H,28,29)
InChIKeyMKHOOWPMOHSPHU-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.08
Rot. Bonds8

About N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine

N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine (PubChem CID 11395490) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
PubChem CID11395490
Molecular FormulaC26H32N4
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC NameN-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1
InChIInChI=1S/C26H32N4/c1-2-9-24(22-10-5-3-6-11-22)28-26-19-27-18-25(29-26)23-14-12-21(13-15-23)20-30-16-7-4-8-17-30/h3,5-6,10-15,18-19,24H,2,4,7-9,16-17,20H2,1H3,(H,28,29)
InChIKeyMKHOOWPMOHSPHU-UHFFFAOYSA-N
XLogP6.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 130325370
N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11304630
1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
CID 58496576
N-[3-(diethylamino)propyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11167065
6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;methane
CID 159299405
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
1-benzylpyrrolidine;propane
CID 143692089
2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164615408
1-benzylazepane
CID 10954328
cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
CID 142832215

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
The IUPAC name of N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine (CID 11395490) is N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine is CCCC(Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
The InChIKey is MKHOOWPMOHSPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4/c1-2-9-24(22-10-5-3-6-11-22)28-26-19-27-18-25(29-26)23-14-12-21(13-15-23)20-30-16-7-4-8-17-30/h3,5-6,10-15,18-19,24H,2,4,7-9,16-17,20H2,1H3,(H,28,29).
What are the key properties of N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine has a molecular weight of 400.57 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 11395490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).