1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine

C11H19N5 — CID 88671943

IUPAC1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)N(C#N)CC1CCNCC1
InChIInChI=1S/C11H19N5/c1-2-5-15-11(13)16(9-12)8-10-3-6-14-7-4-10/h2,10,14H,1,3-8H2,(H2,13,15)
InChIKeyBYZVDBZYYKONCS-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.27
Rot. Bonds4

About 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine

1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine (PubChem CID 88671943) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine
PubChem CID88671943
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)N(C#N)CC1CCNCC1
InChIInChI=1S/C11H19N5/c1-2-5-15-11(13)16(9-12)8-10-3-6-14-7-4-10/h2,10,14H,1,3-8H2,(H2,13,15)
InChIKeyBYZVDBZYYKONCS-UHFFFAOYSA-N
XLogP0.27
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine?
The IUPAC name of 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine (CID 88671943) is 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine.
What is the SMILES notation for 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine?
The canonical SMILES for 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine is C=CC/N=C(\N)N(C#N)CC1CCNCC1.
What is the InChIKey of 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine?
The InChIKey is BYZVDBZYYKONCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-5-15-11(13)16(9-12)8-10-3-6-14-7-4-10/h2,10,14H,1,3-8H2,(H2,13,15).
What are the key properties of 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine?
1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine has a molecular weight of 221.31 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine is sourced from PubChem (CID 88671943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).