1-(4-tert-butylcyclohexyl)-4-phenylpiperazine

C20H32N2 — CID 1378337

IUPAC1-(4-tert-butylcyclohexyl)-4-phenylpiperazine
SMILESCC(C)(C)C1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N2/c1-20(2,3)17-9-11-19(12-10-17)22-15-13-21(14-16-22)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3
InChIKeyRELYLOXDCLSWTQ-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.41
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine

1-(4-tert-butylcyclohexyl)-4-phenylpiperazine (PubChem CID 1378337) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-phenylpiperazine
PubChem CID1378337
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-(4-tert-butylcyclohexyl)-4-phenylpiperazine
SMILESCC(C)(C)C1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N2/c1-20(2,3)17-9-11-19(12-10-17)22-15-13-21(14-16-22)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3
InChIKeyRELYLOXDCLSWTQ-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine (CID 1378337) is 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine is CC(C)(C)C1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine?
The InChIKey is RELYLOXDCLSWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-20(2,3)17-9-11-19(12-10-17)22-15-13-21(14-16-22)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine?
1-(4-tert-butylcyclohexyl)-4-phenylpiperazine has a molecular weight of 300.49 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-phenylpiperazine is sourced from PubChem (CID 1378337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).