2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine

C16H33N3 — CID 64977779

IUPAC2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCCC1CN(C2CCN(C(C)C)CC2)C(CC)CN1
InChIInChI=1S/C16H33N3/c1-5-14-12-19(15(6-2)11-17-14)16-7-9-18(10-8-16)13(3)4/h13-17H,5-12H2,1-4H3
InChIKeyXLJMXTXEFNJQGJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds4

About 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine

2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 64977779) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID64977779
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCCC1CN(C2CCN(C(C)C)CC2)C(CC)CN1
InChIInChI=1S/C16H33N3/c1-5-14-12-19(15(6-2)11-17-14)16-7-9-18(10-8-16)13(3)4/h13-17H,5-12H2,1-4H3
InChIKeyXLJMXTXEFNJQGJ-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
CID 64977928
1-cyclooctyl-2-ethyl-5-(2-methylpropyl)piperazine
CID 64931371
2,5-diethyl-1-(oxolan-3-yl)piperazine
CID 64843081
2,5-diethyl-1-(3-methylcyclohexyl)piperazine
CID 64934041
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
2-ethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937105
1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine
CID 83039148
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935586
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
2-butan-2-yl-1-cyclohexyl-5-ethylpiperazine
CID 82937197
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 64977779) is 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine is CCC1CN(C2CCN(C(C)C)CC2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is XLJMXTXEFNJQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-14-12-19(15(6-2)11-17-14)16-7-9-18(10-8-16)13(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine?
2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 64977779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).