1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine

C9H20N4O — CID 130877853

IUPAC1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine
SMILESC/N=C(\N)NC1CCCN(CCO)C1
InChIInChI=1S/C9H20N4O/c1-11-9(10)12-8-3-2-4-13(7-8)5-6-14/h8,14H,2-7H2,1H3,(H3,10,11,12)
InChIKeyYSFKWIRWDZYTJZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.02
Rot. Bonds3

About 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine

1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine (PubChem CID 130877853) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine
PubChem CID130877853
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine
SMILESC/N=C(\N)NC1CCCN(CCO)C1
InChIInChI=1S/C9H20N4O/c1-11-9(10)12-8-3-2-4-13(7-8)5-6-14/h8,14H,2-7H2,1H3,(H3,10,11,12)
InChIKeyYSFKWIRWDZYTJZ-UHFFFAOYSA-N
XLogP-1.02
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.02
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine?
The IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine (CID 130877853) is 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine?
The canonical SMILES for 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine is C/N=C(\N)NC1CCCN(CCO)C1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine?
The InChIKey is YSFKWIRWDZYTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(10)12-8-3-2-4-13(7-8)5-6-14/h8,14H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine?
1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine has a molecular weight of 200.29 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine is sourced from PubChem (CID 130877853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).