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

C18H34N4 — CID 66586291

IUPAC1,2-dicyclohexyl-1-piperidin-3-ylguanidine
SMILESN/C(=N\C1CCCCC1)N(C1CCCCC1)C1CCCNC1
InChIInChI=1S/C18H34N4/c19-18(21-15-8-3-1-4-9-15)22(16-10-5-2-6-11-16)17-12-7-13-20-14-17/h15-17,20H,1-14H2,(H2,19,21)
InChIKeyRRCYJXDUVRVCQN-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.02
Rot. Bonds3

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

1,2-dicyclohexyl-1-piperidin-3-ylguanidine (PubChem CID 66586291) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1,2-dicyclohexyl-1-piperidin-3-ylguanidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-1-piperidin-3-ylguanidine
PubChem CID66586291
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name1,2-dicyclohexyl-1-piperidin-3-ylguanidine
SMILESN/C(=N\C1CCCCC1)N(C1CCCCC1)C1CCCNC1
InChIInChI=1S/C18H34N4/c19-18(21-15-8-3-1-4-9-15)22(16-10-5-2-6-11-16)17-12-7-13-20-14-17/h15-17,20H,1-14H2,(H2,19,21)
InChIKeyRRCYJXDUVRVCQN-UHFFFAOYSA-N
XLogP3.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.02
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 1,2-dicyclohexyl-1-piperidin-3-ylguanidine?
The IUPAC name of 1,2-dicyclohexyl-1-piperidin-3-ylguanidine (CID 66586291) is 1,2-dicyclohexyl-1-piperidin-3-ylguanidine.
What is the SMILES notation for 1,2-dicyclohexyl-1-piperidin-3-ylguanidine?
The canonical SMILES for 1,2-dicyclohexyl-1-piperidin-3-ylguanidine is N/C(=N\C1CCCCC1)N(C1CCCCC1)C1CCCNC1.
What is the InChIKey of 1,2-dicyclohexyl-1-piperidin-3-ylguanidine?
The InChIKey is RRCYJXDUVRVCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c19-18(21-15-8-3-1-4-9-15)22(16-10-5-2-6-11-16)17-12-7-13-20-14-17/h15-17,20H,1-14H2,(H2,19,21).
What are the key properties of 1,2-dicyclohexyl-1-piperidin-3-ylguanidine?
1,2-dicyclohexyl-1-piperidin-3-ylguanidine has a molecular weight of 306.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-1-piperidin-3-ylguanidine is sourced from PubChem (CID 66586291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).