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

C24H28N4 — CID 130325370

IUPACN-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
SMILESCC(Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1
InChIInChI=1S/C24H28N4/c1-19(21-8-4-2-5-9-21)26-24-17-25-16-23(27-24)22-12-10-20(11-13-22)18-28-14-6-3-7-15-28/h2,4-5,8-13,16-17,19H,3,6-7,14-15,18H2,1H3,(H,26,27)
InChIKeyURFQOGVLXZEYON-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.30
Rot. Bonds6

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

N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine (PubChem CID 130325370) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
PubChem CID130325370
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC NameN-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
SMILESCC(Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1
InChIInChI=1S/C24H28N4/c1-19(21-8-4-2-5-9-21)26-24-17-25-16-23(27-24)22-12-10-20(11-13-22)18-28-14-6-3-7-15-28/h2,4-5,8-13,16-17,19H,3,6-7,14-15,18H2,1H3,(H,26,27)
InChIKeyURFQOGVLXZEYON-UHFFFAOYSA-N
XLogP5.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 11395490
cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
CID 142832215
6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 58717096
N-(1-phenylethyl)-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174456325
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
1-benzylazepane
CID 10954328
1-[(6-chloro-3-pyridinyl)methyl]-4-(1-phenylethyl)piperazine
CID 59382116
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
The IUPAC name of N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine (CID 130325370) is N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine is CC(Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
The InChIKey is URFQOGVLXZEYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-19(21-8-4-2-5-9-21)26-24-17-25-16-23(27-24)22-12-10-20(11-13-22)18-28-14-6-3-7-15-28/h2,4-5,8-13,16-17,19H,3,6-7,14-15,18H2,1H3,(H,26,27).
What are the key properties of N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine?
N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine has a molecular weight of 372.52 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 130325370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).