1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine

C24H49N3 — CID 134369033

IUPAC1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine
SMILESCC(CCC(C)(C)C1CCN(C(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C24H49N3/c1-20(25-16-18-27(19-17-25)23(5,6)7)10-13-24(8,9)21-11-14-26(15-12-21)22(2,3)4/h20-21H,10-19H2,1-9H3
InChIKeyLCYWQUNZJKGKJG-UHFFFAOYSA-N
MW379.68 g/mol
LogP5.11
Rot. Bonds5

About 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine

1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine (PubChem CID 134369033) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine
PubChem CID134369033
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC Name1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine
SMILESCC(CCC(C)(C)C1CCN(C(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C24H49N3/c1-20(25-16-18-27(19-17-25)23(5,6)7)10-13-24(8,9)21-11-14-26(15-12-21)22(2,3)4/h20-21H,10-19H2,1-9H3
InChIKeyLCYWQUNZJKGKJG-UHFFFAOYSA-N
XLogP5.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine (CID 134369033) is 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine is CC(CCC(C)(C)C1CCN(C(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine?
The InChIKey is LCYWQUNZJKGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3/c1-20(25-16-18-27(19-17-25)23(5,6)7)10-13-24(8,9)21-11-14-26(15-12-21)22(2,3)4/h20-21H,10-19H2,1-9H3.
What are the key properties of 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine?
1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine has a molecular weight of 379.68 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-5-methylhexan-2-yl]piperazine is sourced from PubChem (CID 134369033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).