1,3-diaminourea;piperidine

C6H17N5O — CID 159999921

IUPAC1,3-diaminourea;piperidine
SMILESC1CCNCC1.NNC(=O)NN
InChIInChI=1S/C5H11N.CH6N4O/c1-2-4-6-5-3-1;2-4-1(6)5-3/h6H,1-5H2;2-3H2,(H2,4,5,6)
InChIKeyOIALJYBFGGOZGQ-UHFFFAOYSA-N
MW175.24 g/mol
LogP-1.21
Rot. Bonds

About 1,3-diaminourea;piperidine

1,3-diaminourea;piperidine (PubChem CID 159999921) has the molecular formula C6H17N5O and a molecular weight of 175.24 g/mol. Its IUPAC name is 1,3-diaminourea;piperidine.

Molecular Properties

Compound Name1,3-diaminourea;piperidine
PubChem CID159999921
Molecular FormulaC6H17N5O
Molecular Weight175.24 g/mol
Exact Mass175.14
IUPAC Name1,3-diaminourea;piperidine
SMILESC1CCNCC1.NNC(=O)NN
InChIInChI=1S/C5H11N.CH6N4O/c1-2-4-6-5-3-1;2-4-1(6)5-3/h6H,1-5H2;2-3H2,(H2,4,5,6)
InChIKeyOIALJYBFGGOZGQ-UHFFFAOYSA-N
XLogP-1.21
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cycloheptane;1,3-diaminourea
CID 18624283
zinc;piperidine;dicarbamothioate
CID 159035221
1,3-diaminourea;methane
CID 159116698
copper;bis(1,3-diaminourea)
CID 87072339
CID 172800195
CID 172800195
magnesium 1,3-diaminourea
CID 22123853
1,3-diaminourea;phosphane
CID 159962214
azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
azacyclotriacontane
CID 57238597
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;piperidine?
The IUPAC name of 1,3-diaminourea;piperidine (CID 159999921) is 1,3-diaminourea;piperidine.
What is the SMILES notation for 1,3-diaminourea;piperidine?
The canonical SMILES for 1,3-diaminourea;piperidine is C1CCNCC1.NNC(=O)NN.
What is the InChIKey of 1,3-diaminourea;piperidine?
The InChIKey is OIALJYBFGGOZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH6N4O/c1-2-4-6-5-3-1;2-4-1(6)5-3/h6H,1-5H2;2-3H2,(H2,4,5,6).
What are the key properties of 1,3-diaminourea;piperidine?
1,3-diaminourea;piperidine has a molecular weight of 175.24 g/mol, XLogP of -1.21, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;piperidine is sourced from PubChem (CID 159999921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).