1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine

C16H33N3 — CID 146649892

IUPAC1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine
SMILESCCC1(C)CCC(N2CCN(C(C)(C)C)CC2)CN1
InChIInChI=1S/C16H33N3/c1-6-16(5)8-7-14(13-17-16)18-9-11-19(12-10-18)15(2,3)4/h14,17H,6-13H2,1-5H3
InChIKeyZLCDVBBBINZVDN-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds2

About 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine

1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine (PubChem CID 146649892) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine
PubChem CID146649892
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine
SMILESCCC1(C)CCC(N2CCN(C(C)(C)C)CC2)CN1
InChIInChI=1S/C16H33N3/c1-6-16(5)8-7-14(13-17-16)18-9-11-19(12-10-18)15(2,3)4/h14,17H,6-13H2,1-5H3
InChIKeyZLCDVBBBINZVDN-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
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-(6-ethyl-6-methylpiperidin-3-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine (CID 146649892) is 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine is CCC1(C)CCC(N2CCN(C(C)(C)C)CC2)CN1.
What is the InChIKey of 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine?
The InChIKey is ZLCDVBBBINZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-16(5)8-7-14(13-17-16)18-9-11-19(12-10-18)15(2,3)4/h14,17H,6-13H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine?
1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(6-ethyl-6-methylpiperidin-3-yl)piperazine is sourced from PubChem (CID 146649892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).