N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine

C21H30N4 — CID 110116880

IUPACN,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cnc(CC2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4/c1-24(2)17-21-16-22-20(15-23-21)14-19-9-12-25(13-10-19)11-8-18-6-4-3-5-7-18/h3-7,15-16,19H,8-14,17H2,1-2H3
InChIKeyGOPOIRNPDZJTKS-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.04
Rot. Bonds7

About N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine

N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine (PubChem CID 110116880) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine
PubChem CID110116880
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC NameN,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cnc(CC2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4/c1-24(2)17-21-16-22-20(15-23-21)14-19-9-12-25(13-10-19)11-8-18-6-4-3-5-7-18/h3-7,15-16,19H,8-14,17H2,1-2H3
InChIKeyGOPOIRNPDZJTKS-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine (CID 110116880) is N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine is CN(C)Cc1cnc(CC2CCN(CCc3ccccc3)CC2)cn1.
What is the InChIKey of N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine?
The InChIKey is GOPOIRNPDZJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-24(2)17-21-16-22-20(15-23-21)14-19-9-12-25(13-10-19)11-8-18-6-4-3-5-7-18/h3-7,15-16,19H,8-14,17H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine?
N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine has a molecular weight of 338.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 110116880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).