2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine

C16H27N3 — CID 82745822

IUPAC2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
SMILESCCc1cccnc1CN1CC(C)(C)NCC1CC
InChIInChI=1S/C16H27N3/c1-5-13-8-7-9-17-15(13)11-19-12-16(3,4)18-10-14(19)6-2/h7-9,14,18H,5-6,10-12H2,1-4H3
InChIKeyGZBXRDUKVVZESS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.61
Rot. Bonds4

About 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine

2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine (PubChem CID 82745822) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
PubChem CID82745822
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
SMILESCCc1cccnc1CN1CC(C)(C)NCC1CC
InChIInChI=1S/C16H27N3/c1-5-13-8-7-9-17-15(13)11-19-12-16(3,4)18-10-14(19)6-2/h7-9,14,18H,5-6,10-12H2,1-4H3
InChIKeyGZBXRDUKVVZESS-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine (CID 82745822) is 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine is CCc1cccnc1CN1CC(C)(C)NCC1CC.
What is the InChIKey of 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is GZBXRDUKVVZESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-13-8-7-9-17-15(13)11-19-12-16(3,4)18-10-14(19)6-2/h7-9,14,18H,5-6,10-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 261.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 82745822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).