1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine

C20H40N2 — CID 135165058

IUPAC1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine
SMILESCC(C)(C)C1CCC(CCCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C20H40N2/c1-19(2,3)18-10-9-17(16-18)8-7-11-21-12-14-22(15-13-21)20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyAHOJBGUQDAVZRB-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.65
Rot. Bonds4

About 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine

1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine (PubChem CID 135165058) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine
PubChem CID135165058
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine
SMILESCC(C)(C)C1CCC(CCCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C20H40N2/c1-19(2,3)18-10-9-17(16-18)8-7-11-21-12-14-22(15-13-21)20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyAHOJBGUQDAVZRB-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine (CID 135165058) is 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine is CC(C)(C)C1CCC(CCCN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine?
The InChIKey is AHOJBGUQDAVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-19(2,3)18-10-9-17(16-18)8-7-11-21-12-14-22(15-13-21)20(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine?
1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine has a molecular weight of 308.55 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine is sourced from PubChem (CID 135165058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).