2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine

C16H27N3 — CID 64938382

IUPAC2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1ccc(C)nc1
InChIInChI=1S/C16H27N3/c1-5-15-9-18-16(12(2)3)11-19(15)10-14-7-6-13(4)17-8-14/h6-8,12,15-16,18H,5,9-11H2,1-4H3
InChIKeyAGKPSGIBFKDHFA-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.60
Rot. Bonds4

About 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine

2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine (PubChem CID 64938382) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
PubChem CID64938382
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1Cc1ccc(C)nc1
InChIInChI=1S/C16H27N3/c1-5-15-9-18-16(12(2)3)11-19(15)10-14-7-6-13(4)17-8-14/h6-8,12,15-16,18H,5,9-11H2,1-4H3
InChIKeyAGKPSGIBFKDHFA-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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Related Compounds

2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 114702053
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
CID 64831547
1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64831754
3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64938538
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
2-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 104632195
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine (CID 64938382) is 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1Cc1ccc(C)nc1.
What is the InChIKey of 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is AGKPSGIBFKDHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-15-9-18-16(12(2)3)11-19(15)10-14-7-6-13(4)17-8-14/h6-8,12,15-16,18H,5,9-11H2,1-4H3.
What are the key properties of 2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine?
2-ethyl-1-[(6-methyl-3-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-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64938382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).