5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide

C11H23N3O — CID 81097013

IUPAC5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCC(C)(O)CC1
InChIInChI=1S/C11H23N3O/c1-11(15)5-8-14(9-6-11)7-3-2-4-10(12)13/h15H,2-9H2,1H3,(H3,12,13)
InChIKeyGUBKAROETXUGPY-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.94
Rot. Bonds5

About 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide

5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide (PubChem CID 81097013) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
PubChem CID81097013
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCC(C)(O)CC1
InChIInChI=1S/C11H23N3O/c1-11(15)5-8-14(9-6-11)7-3-2-4-10(12)13/h15H,2-9H2,1H3,(H3,12,13)
InChIKeyGUBKAROETXUGPY-UHFFFAOYSA-N
XLogP0.94
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.94
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'}

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Related Compounds

2-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 112737696
3,3,3-Trifluoro-2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808169
Tert-butyl 4-(2-amino-2-iminoethyl)-4-hydroxypiperidine-1-carboxylate
CID 163385914
Ethane;1-methanimidoyl-4-methylpiperidin-4-ol
CID 170740420
1-(2-Iminoethanimidoyl)-4-methylpiperidin-4-ol
CID 170743561
5-(4-Hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 81096798
2-[1-[(4-Hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 81097015
2-(4-Hydroxy-4-methylpiperidin-1-yl)ethanimidamide
CID 81097107
2-(4-Hydroxy-4-methylpiperidin-1-yl)propanimidamide
CID 81097434
4-(4-Hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525
3-(4-Hydroxy-4-methylpiperidin-1-yl)butanimidamide
CID 81097526
3-(4-Hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide
CID 81097762

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
The IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide (CID 81097013) is 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCC(C)(O)CC1.
What is the InChIKey of 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
The InChIKey is GUBKAROETXUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(15)5-8-14(9-6-11)7-3-2-4-10(12)13/h15H,2-9H2,1H3,(H3,12,13).
What are the key properties of 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 81097013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).