1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine

C15H31N3 — CID 114235704

IUPAC1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
SMILESCC1(C)CNCCC1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3/c1-14(2,3)18-10-8-17(9-11-18)13-6-7-16-12-15(13,4)5/h13,16H,6-12H2,1-5H3
InChIKeyXULPRYWHBGHPCH-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds1

About 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine

1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine (PubChem CID 114235704) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
PubChem CID114235704
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
SMILESCC1(C)CNCCC1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3/c1-14(2,3)18-10-8-17(9-11-18)13-6-7-16-12-15(13,4)5/h13,16H,6-12H2,1-5H3
InChIKeyXULPRYWHBGHPCH-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine (CID 114235704) is 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine is CC1(C)CNCCC1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
The InChIKey is XULPRYWHBGHPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2,3)18-10-8-17(9-11-18)13-6-7-16-12-15(13,4)5/h13,16H,6-12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine?
1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine is sourced from PubChem (CID 114235704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).