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

C17H30N6 — CID 123261126

IUPACN,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine
SMILESCN1CCN(c2cnc(CN3CCC(N(C)C)CC3)cn2)CC1
InChIInChI=1S/C17H30N6/c1-20(2)16-4-6-22(7-5-16)14-15-12-19-17(13-18-15)23-10-8-21(3)9-11-23/h12-13,16H,4-11,14H2,1-3H3
InChIKeySQKWAXDPFURBSR-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.75
Rot. Bonds4

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

N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine (PubChem CID 123261126) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine
PubChem CID123261126
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC NameN,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine
SMILESCN1CCN(c2cnc(CN3CCC(N(C)C)CC3)cn2)CC1
InChIInChI=1S/C17H30N6/c1-20(2)16-4-6-22(7-5-16)14-15-12-19-17(13-18-15)23-10-8-21(3)9-11-23/h12-13,16H,4-11,14H2,1-3H3
InChIKeySQKWAXDPFURBSR-UHFFFAOYSA-N
XLogP0.75
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine (CID 123261126) is N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine is CN1CCN(c2cnc(CN3CCC(N(C)C)CC3)cn2)CC1.
What is the InChIKey of N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine?
The InChIKey is SQKWAXDPFURBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-20(2)16-4-6-22(7-5-16)14-15-12-19-17(13-18-15)23-10-8-21(3)9-11-23/h12-13,16H,4-11,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine?
N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine has a molecular weight of 318.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 123261126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).