2,2-dicyclohexylpiperazine

C16H30N2 — CID 91103537

IUPAC2,2-dicyclohexylpiperazine
SMILESC1CCC(C2(C3CCCCC3)CNCCN2)CC1
InChIInChI=1S/C16H30N2/c1-3-7-14(8-4-1)16(13-17-11-12-18-16)15-9-5-2-6-10-15/h14-15,17-18H,1-13H2
InChIKeyOXCIOMWESGHOJJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.08
Rot. Bonds2

About 2,2-dicyclohexylpiperazine

2,2-dicyclohexylpiperazine (PubChem CID 91103537) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,2-dicyclohexylpiperazine.

Molecular Properties

Compound Name2,2-dicyclohexylpiperazine
PubChem CID91103537
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2,2-dicyclohexylpiperazine
SMILESC1CCC(C2(C3CCCCC3)CNCCN2)CC1
InChIInChI=1S/C16H30N2/c1-3-7-14(8-4-1)16(13-17-11-12-18-16)15-9-5-2-6-10-15/h14-15,17-18H,1-13H2
InChIKeyOXCIOMWESGHOJJ-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexylpiperazine?
The IUPAC name of 2,2-dicyclohexylpiperazine (CID 91103537) is 2,2-dicyclohexylpiperazine.
What is the SMILES notation for 2,2-dicyclohexylpiperazine?
The canonical SMILES for 2,2-dicyclohexylpiperazine is C1CCC(C2(C3CCCCC3)CNCCN2)CC1.
What is the InChIKey of 2,2-dicyclohexylpiperazine?
The InChIKey is OXCIOMWESGHOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-7-14(8-4-1)16(13-17-11-12-18-16)15-9-5-2-6-10-15/h14-15,17-18H,1-13H2.
What are the key properties of 2,2-dicyclohexylpiperazine?
2,2-dicyclohexylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylpiperazine is sourced from PubChem (CID 91103537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).