4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride

C8H18ClN3O — CID 70047066

IUPAC4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N(C)C)N1CCC(O)CC1
InChIInChI=1S/C8H17N3O.ClH/c1-10(2)8(9)11-5-3-7(12)4-6-11;/h7,9,12H,3-6H2,1-2H3;1H/b9-8+;
InChIKeyUOOODPXIUAKJQB-HRNDJLQDSA-N
MW207.70 g/mol
LogP0.36
Rot. Bonds

About 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride

4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 70047066) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride
PubChem CID70047066
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N(C)C)N1CCC(O)CC1
InChIInChI=1S/C8H17N3O.ClH/c1-10(2)8(9)11-5-3-7(12)4-6-11;/h7,9,12H,3-6H2,1-2H3;1H/b9-8+;
InChIKeyUOOODPXIUAKJQB-HRNDJLQDSA-N
XLogP0.36
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride (CID 70047066) is 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N(C)C)N1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride?
The InChIKey is UOOODPXIUAKJQB-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-10(2)8(9)11-5-3-7(12)4-6-11;/h7,9,12H,3-6H2,1-2H3;1H/b9-8+;.
What are the key properties of 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride?
4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethylpiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 70047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).