2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide

C14H31IN4 — CID 111086488

IUPAC2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCCN1CCCCC1C/N=C(\N)NCCC.I
InChIInChI=1S/C14H30N4.HI/c1-3-5-10-18-11-7-6-8-13(18)12-17-14(15)16-9-4-2;/h13H,3-12H2,1-2H3,(H3,15,16,17);1H
InChIKeyZAOACOQSUJYDQO-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.57
Rot. Bonds7

About 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide

2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 111086488) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
PubChem CID111086488
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCCN1CCCCC1C/N=C(\N)NCCC.I
InChIInChI=1S/C14H30N4.HI/c1-3-5-10-18-11-7-6-8-13(18)12-17-14(15)16-9-4-2;/h13H,3-12H2,1-2H3,(H3,15,16,17);1H
InChIKeyZAOACOQSUJYDQO-UHFFFAOYSA-N
XLogP2.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060114
2-[(1-benzylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
CID 111078002
2-[(1-benzylpiperidin-2-yl)methyl]-1-butylguanidine;hydroiodide
CID 111077998
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037
2-[(1-ethylpiperidin-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111803463
ethyl 4-[[N'-[(1-butylpiperidin-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111086509
1-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111032905
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085448
tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111085901
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111816489
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063441
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide (CID 111086488) is 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide is CCCCN1CCCCC1C/N=C(\N)NCCC.I.
What is the InChIKey of 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is ZAOACOQSUJYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-3-5-10-18-11-7-6-8-13(18)12-17-14(15)16-9-4-2;/h13H,3-12H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide?
2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111086488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).