2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine

C19H34N6 — CID 111086967

IUPAC2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/Cc1ccnc(N2CCN(CC)CC2)c1
InChIInChI=1S/C19H34N6/c1-3-5-6-7-9-22-19(20)23-16-17-8-10-21-18(15-17)25-13-11-24(4-2)12-14-25/h8,10,15H,3-7,9,11-14,16H2,1-2H3,(H3,20,22,23)
InChIKeyNGTNGYNSQCPWNZ-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.21
Rot. Bonds9

About 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine

2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine (PubChem CID 111086967) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine
PubChem CID111086967
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/Cc1ccnc(N2CCN(CC)CC2)c1
InChIInChI=1S/C19H34N6/c1-3-5-6-7-9-22-19(20)23-16-17-8-10-21-18(15-17)25-13-11-24(4-2)12-14-25/h8,10,15H,3-7,9,11-14,16H2,1-2H3,(H3,20,22,23)
InChIKeyNGTNGYNSQCPWNZ-UHFFFAOYSA-N
XLogP2.21
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-octylguanidine;hydroiodide
CID 111086960
1-hexyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049024
1-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-hexylguanidine
CID 111161809
1-(3,4-dimethylphenyl)-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111086963
1-(3-ethoxypropyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049036
1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041409
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1-propylguanidine
CID 111061819
1-ethyl-3-pentyl-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111128304
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine
CID 111049010
1-(3-morpholin-4-ylpropyl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041217
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111049009
1-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-prop-2-ynylguanidine
CID 111848945

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine?
The IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine (CID 111086967) is 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine.
What is the SMILES notation for 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine?
The canonical SMILES for 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine is CCCCCCN/C(N)=N/Cc1ccnc(N2CCN(CC)CC2)c1.
What is the InChIKey of 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine?
The InChIKey is NGTNGYNSQCPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-3-5-6-7-9-22-19(20)23-16-17-8-10-21-18(15-17)25-13-11-24(4-2)12-14-25/h8,10,15H,3-7,9,11-14,16H2,1-2H3,(H3,20,22,23).
What are the key properties of 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine?
2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine has a molecular weight of 346.52 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine is sourced from PubChem (CID 111086967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).