3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine

C16H32N2 — CID 79350271

IUPAC3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
SMILESCCC1(CC)CN(CC2C(C)(C)C2(C)C)CCN1
InChIInChI=1S/C16H32N2/c1-7-16(8-2)12-18(10-9-17-16)11-13-14(3,4)15(13,5)6/h13,17H,7-12H2,1-6H3
InChIKeyKNYLHDBGDCQMQF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine

3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine (PubChem CID 79350271) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
PubChem CID79350271
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
SMILESCCC1(CC)CN(CC2C(C)(C)C2(C)C)CCN1
InChIInChI=1S/C16H32N2/c1-7-16(8-2)12-18(10-9-17-16)11-13-14(3,4)15(13,5)6/h13,17H,7-12H2,1-6H3
InChIKeyKNYLHDBGDCQMQF-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
The IUPAC name of 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine (CID 79350271) is 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine.
What is the SMILES notation for 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
The canonical SMILES for 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine is CCC1(CC)CN(CC2C(C)(C)C2(C)C)CCN1.
What is the InChIKey of 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
The InChIKey is KNYLHDBGDCQMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-16(8-2)12-18(10-9-17-16)11-13-14(3,4)15(13,5)6/h13,17H,7-12H2,1-6H3.
What are the key properties of 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine?
3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 79350271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).