1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide

C14H31IN4 — CID 111060060

IUPAC1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCCN1CCCCC1C.I
InChIInChI=1S/C14H30N4.HI/c1-3-9-16-14(15)17-10-5-7-12-18-11-6-4-8-13(18)2;/h13H,3-12H2,1-2H3,(H3,15,16,17);1H
InChIKeyHNFPOFSYLDFNKI-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.57
Rot. Bonds7

About 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide

1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide (PubChem CID 111060060) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
PubChem CID111060060
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCCN1CCCCC1C.I
InChIInChI=1S/C14H30N4.HI/c1-3-9-16-14(15)17-10-5-7-12-18-11-6-4-8-13(18)2;/h13H,3-12H2,1-2H3,(H3,15,16,17);1H
InChIKeyHNFPOFSYLDFNKI-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111032905
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060114
2-(3-ethoxypropyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056765
2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056738
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370522
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-[4-[[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111370318
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060442
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide (CID 111060060) is 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCCCN1CCCCC1C.I.
What is the InChIKey of 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
The InChIKey is HNFPOFSYLDFNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-3-9-16-14(15)17-10-5-7-12-18-11-6-4-8-13(18)2;/h13H,3-12H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide?
1-[4-(2-methylpiperidin-1-yl)butyl]-2-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 1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).