1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine

C24H49N3 — CID 138623766

IUPAC1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
SMILESCC(C)N1CCC(C(C)(C)CCC(C)(C)N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H49N3/c1-20(2)25-14-10-21(11-15-25)23(6,7)12-13-24(8,9)27-18-16-26(17-19-27)22(3,4)5/h20-21H,10-19H2,1-9H3
InChIKeyRLLKBTORAWAEIL-UHFFFAOYSA-N
MW379.68 g/mol
LogP5.11
Rot. Bonds6

About 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine

1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine (PubChem CID 138623766) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
PubChem CID138623766
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC Name1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
SMILESCC(C)N1CCC(C(C)(C)CCC(C)(C)N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H49N3/c1-20(2)25-14-10-21(11-15-25)23(6,7)12-13-24(8,9)27-18-16-26(17-19-27)22(3,4)5/h20-21H,10-19H2,1-9H3
InChIKeyRLLKBTORAWAEIL-UHFFFAOYSA-N
XLogP5.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine (CID 138623766) is 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine is CC(C)N1CCC(C(C)(C)CCC(C)(C)N2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine?
The InChIKey is RLLKBTORAWAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3/c1-20(2)25-14-10-21(11-15-25)23(6,7)12-13-24(8,9)27-18-16-26(17-19-27)22(3,4)5/h20-21H,10-19H2,1-9H3.
What are the key properties of 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine?
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine has a molecular weight of 379.68 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine is sourced from PubChem (CID 138623766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).