(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine

C21H28N4 — CID 119108088

IUPAC(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4/c1-18(14-19-6-4-3-5-7-19)16-22-17-20-8-9-23-21(15-20)25-12-10-24(2)11-13-25/h3-9,14-15,22H,10-13,16-17H2,1-2H3/b18-14+
InChIKeyKROGATUBGOBECU-NBVRZTHBSA-N
MW336.48 g/mol
LogP3.03
Rot. Bonds6

About (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine

(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine (PubChem CID 119108088) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine
PubChem CID119108088
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4/c1-18(14-19-6-4-3-5-7-19)16-22-17-20-8-9-23-21(15-20)25-12-10-24(2)11-13-25/h3-9,14-15,22H,10-13,16-17H2,1-2H3/b18-14+
InChIKeyKROGATUBGOBECU-NBVRZTHBSA-N
XLogP3.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
CID 55873999
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
CID 55911750
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111694332
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine (CID 119108088) is (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine is C/C(=C\c1ccccc1)CNCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is KROGATUBGOBECU-NBVRZTHBSA-N. The full InChI is InChI=1S/C21H28N4/c1-18(14-19-6-4-3-5-7-19)16-22-17-20-8-9-23-21(15-20)25-12-10-24(2)11-13-25/h3-9,14-15,22H,10-13,16-17H2,1-2H3/b18-14+.
What are the key properties of (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine?
(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 336.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 119108088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).