5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine

C18H37N3 — CID 114506170

IUPAC5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C1CCN(C)CC1C
InChIInChI=1S/C18H37N3/c1-13(2)16-10-19-17(18(4,5)6)12-21(16)15-8-9-20(7)11-14(15)3/h13-17,19H,8-12H2,1-7H3
InChIKeyYKTVRGXICAAHRK-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds2

About 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine

5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine (PubChem CID 114506170) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine
PubChem CID114506170
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C1CCN(C)CC1C
InChIInChI=1S/C18H37N3/c1-13(2)16-10-19-17(18(4,5)6)12-21(16)15-8-9-20(7)11-14(15)3/h13-17,19H,8-12H2,1-7H3
InChIKeyYKTVRGXICAAHRK-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64940437
5-tert-butyl-1-(1-cyclopropylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64939505
1-(2,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937246
1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
CID 114506139
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64940326
1-(2-methylcyclopentyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64941388
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine
CID 79786714
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine (CID 114506170) is 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1C1CCN(C)CC1C.
What is the InChIKey of 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine?
The InChIKey is YKTVRGXICAAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-13(2)16-10-19-17(18(4,5)6)12-21(16)15-8-9-20(7)11-14(15)3/h13-17,19H,8-12H2,1-7H3.
What are the key properties of 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine?
5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 114506170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).