1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine

C18H31N3 — CID 82748990

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(Cc2ncccc2CC)C(C(C)C)CN1
InChIInChI=1S/C18H31N3/c1-5-8-16-12-21(18(11-20-16)14(3)4)13-17-15(6-2)9-7-10-19-17/h7,9-10,14,16,18,20H,5-6,8,11-13H2,1-4H3
InChIKeyWTJAHECMJQYMTI-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.24
Rot. Bonds6

About 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine

1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine (PubChem CID 82748990) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
PubChem CID82748990
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(Cc2ncccc2CC)C(C(C)C)CN1
InChIInChI=1S/C18H31N3/c1-5-8-16-12-21(18(11-20-16)14(3)4)13-17-15(6-2)9-7-10-19-17/h7,9-10,14,16,18,20H,5-6,8,11-13H2,1-4H3
InChIKeyWTJAHECMJQYMTI-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-2-methylpiperazine
CID 82745598
1-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64838193
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
CID 146675492
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
CID 64839360
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine (CID 82748990) is 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine is CCCC1CN(Cc2ncccc2CC)C(C(C)C)CN1.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine?
The InChIKey is WTJAHECMJQYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-8-16-12-21(18(11-20-16)14(3)4)13-17-15(6-2)9-7-10-19-17/h7,9-10,14,16,18,20H,5-6,8,11-13H2,1-4H3.
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine?
1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine has a molecular weight of 289.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 82748990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).