2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide

C14H31IN4O — CID 111057067

IUPAC2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CCCN1CCC(O)CC1.I
InChIInChI=1S/C14H30N4O.HI/c1-12(2)4-8-17-14(15)16-7-3-9-18-10-5-13(19)6-11-18;/h12-13,19H,3-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyIXLGMPZPPKFXPA-UHFFFAOYSA-N
MW398.33 g/mol
LogP1.40
Rot. Bonds7

About 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide

2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 111057067) has the molecular formula C14H31IN4O and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
PubChem CID111057067
Molecular FormulaC14H31IN4O
Molecular Weight398.33 g/mol
Exact Mass398.15
IUPAC Name2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CCCN1CCC(O)CC1.I
InChIInChI=1S/C14H30N4O.HI/c1-12(2)4-8-17-14(15)16-7-3-9-18-10-5-13(19)6-11-18;/h12-13,19H,3-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyIXLGMPZPPKFXPA-UHFFFAOYSA-N
XLogP1.40
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
1-butyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111057070
1-(3-methylbutyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059029
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(7-methyloctyl)guanidine;hydroiodide
CID 111204685
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111074957

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide (CID 111057067) is 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide is CC(C)CCN/C(N)=N/CCCN1CCC(O)CC1.I.
What is the InChIKey of 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is IXLGMPZPPKFXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.HI/c1-12(2)4-8-17-14(15)16-7-3-9-18-10-5-13(19)6-11-18;/h12-13,19H,3-11H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide?
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 398.33 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111057067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).