4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide

C10H21N3O — CID 62367973

IUPAC4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(CO)CC1
InChIInChI=1S/C10H21N3O/c1-2-5-12-10(11)13-6-3-9(8-14)4-7-13/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyVDOVYWMFJHGJSC-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.42
Rot. Bonds3

About 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide

4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide (PubChem CID 62367973) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide
PubChem CID62367973
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(CO)CC1
InChIInChI=1S/C10H21N3O/c1-2-5-12-10(11)13-6-3-9(8-14)4-7-13/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyVDOVYWMFJHGJSC-UHFFFAOYSA-N
XLogP0.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.42
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'}

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Related Compounds

4-(hydroxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
CID 62367974
N'-propylazocane-1-carboximidamide
CID 62361040
N',4-diethylpiperidine-1-carboximidamide
CID 62361453
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 54304139
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-pentan-2-yl-4-propan-2-ylpiperidine-1-carboximidamide
CID 134399763
4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 111752905

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide (CID 62367973) is 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\N)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide?
The InChIKey is VDOVYWMFJHGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-5-12-10(11)13-6-3-9(8-14)4-7-13/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide?
4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 62367973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).