5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine

C18H37N3 — CID 107165359

IUPAC5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1(C)CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-7-15-12-19-16(17(2,3)4)13-21(15)14-18(5)8-10-20(6)11-9-18/h15-16,19H,7-14H2,1-6H3
InChIKeyPMMIYIRKKOOUEC-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds3

About 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine

5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine (PubChem CID 107165359) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
PubChem CID107165359
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1(C)CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-7-15-12-19-16(17(2,3)4)13-21(15)14-18(5)8-10-20(6)11-9-18/h15-16,19H,7-14H2,1-6H3
InChIKeyPMMIYIRKKOOUEC-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine
CID 107165362
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935199
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
CID 64941461
5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488306
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
CID 64946001
1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
CID 106409163
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940800
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
5-tert-butyl-2-ethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957732

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine (CID 107165359) is 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1CC1(C)CCN(C)CC1.
What is the InChIKey of 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine?
The InChIKey is PMMIYIRKKOOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-7-15-12-19-16(17(2,3)4)13-21(15)14-18(5)8-10-20(6)11-9-18/h15-16,19H,7-14H2,1-6H3.
What are the key properties of 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine?
5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine is sourced from PubChem (CID 107165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).