3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide

C10H21N3O — CID 60914182

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCC(CO)C1
InChIInChI=1S/C10H21N3O/c1-8(5-10(11)12)13-4-2-3-9(6-13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyPMXVRGJOTWLUSR-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.41
Rot. Bonds4

About 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide

3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide (PubChem CID 60914182) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
PubChem CID60914182
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCC(CO)C1
InChIInChI=1S/C10H21N3O/c1-8(5-10(11)12)13-4-2-3-9(6-13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyPMXVRGJOTWLUSR-UHFFFAOYSA-N
XLogP0.41
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol
CID 54154578
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
2-[2-Methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride
CID 142633112
2-[2-Methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol
CID 142633113
3-[2-(2-Hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368014
3-[4-(Hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43368118
3-[4-(Hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368124
[1-(1-Aminopentan-3-yl)piperidin-3-yl]methanol
CID 43590172
N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43590330
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43590334

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide (CID 60914182) is 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide is [H]/N=C(\N)CC(C)N1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The InChIKey is PMXVRGJOTWLUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(5-10(11)12)13-4-2-3-9(6-13)7-14/h8-9,14H,2-7H2,1H3,(H3,11,12).
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 60914182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).