1,3-dicyclohexyl-2-piperidin-4-ylguanidine

C18H34N4 — CID 70148524

IUPAC1,3-dicyclohexyl-2-piperidin-4-ylguanidine
SMILESC1CCC(NC(=NC2CCNCC2)NC2CCCCC2)CC1
InChIInChI=1S/C18H34N4/c1-3-7-15(8-4-1)20-18(21-16-9-5-2-6-10-16)22-17-11-13-19-14-12-17/h15-17,19H,1-14H2,(H2,20,21,22)
InChIKeyFYMSEUADVHGMLG-UHFFFAOYSA-N
MW306.50 g/mol
LogP2.94
Rot. Bonds3

About 1,3-dicyclohexyl-2-piperidin-4-ylguanidine

1,3-dicyclohexyl-2-piperidin-4-ylguanidine (PubChem CID 70148524) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-piperidin-4-ylguanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-piperidin-4-ylguanidine
PubChem CID70148524
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name1,3-dicyclohexyl-2-piperidin-4-ylguanidine
SMILESC1CCC(NC(=NC2CCNCC2)NC2CCCCC2)CC1
InChIInChI=1S/C18H34N4/c1-3-7-15(8-4-1)20-18(21-16-9-5-2-6-10-16)22-17-11-13-19-14-12-17/h15-17,19H,1-14H2,(H2,20,21,22)
InChIKeyFYMSEUADVHGMLG-UHFFFAOYSA-N
XLogP2.94
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
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 1,3-dicyclohexyl-2-piperidin-4-ylguanidine?
The IUPAC name of 1,3-dicyclohexyl-2-piperidin-4-ylguanidine (CID 70148524) is 1,3-dicyclohexyl-2-piperidin-4-ylguanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-piperidin-4-ylguanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-piperidin-4-ylguanidine is C1CCC(NC(=NC2CCNCC2)NC2CCCCC2)CC1.
What is the InChIKey of 1,3-dicyclohexyl-2-piperidin-4-ylguanidine?
The InChIKey is FYMSEUADVHGMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-3-7-15(8-4-1)20-18(21-16-9-5-2-6-10-16)22-17-11-13-19-14-12-17/h15-17,19H,1-14H2,(H2,20,21,22).
What are the key properties of 1,3-dicyclohexyl-2-piperidin-4-ylguanidine?
1,3-dicyclohexyl-2-piperidin-4-ylguanidine has a molecular weight of 306.50 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-piperidin-4-ylguanidine is sourced from PubChem (CID 70148524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).