2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine

C16H27N3 — CID 114702053

IUPAC2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1ccncc1C
InChIInChI=1S/C16H27N3/c1-5-15-9-18-16(12(2)3)11-19(15)10-14-6-7-17-8-13(14)4/h6-8,12,15-16,18H,5,9-11H2,1-4H3
InChIKeyACIFXNCVLZDYGJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.60
Rot. Bonds4

About 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine

2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine (PubChem CID 114702053) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
PubChem CID114702053
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1ccncc1C
InChIInChI=1S/C16H27N3/c1-5-15-9-18-16(12(2)3)11-19(15)10-14-6-7-17-8-13(14)4/h6-8,12,15-16,18H,5,9-11H2,1-4H3
InChIKeyACIFXNCVLZDYGJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine (CID 114702053) is 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1Cc1ccncc1C.
What is the InChIKey of 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is ACIFXNCVLZDYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-15-9-18-16(12(2)3)11-19(15)10-14-6-7-17-8-13(14)4/h6-8,12,15-16,18H,5,9-11H2,1-4H3.
What are the key properties of 2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine?
2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 261.41 g/mol, XLogP of 2.60, 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-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 114702053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).