5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine

C17H29N3 — CID 64849613

IUPAC5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2cccnc2)C(C)(CC)CN1
InChIInChI=1S/C17H29N3/c1-5-14(3)16-12-20(17(4,6-2)13-19-16)11-15-8-7-9-18-10-15/h7-10,14,16,19H,5-6,11-13H2,1-4H3
InChIKeyWEWPMILIPINBNL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine

5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64849613) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64849613
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2cccnc2)C(C)(CC)CN1
InChIInChI=1S/C17H29N3/c1-5-14(3)16-12-20(17(4,6-2)13-19-16)11-15-8-7-9-18-10-15/h7-10,14,16,19H,5-6,11-13H2,1-4H3
InChIKeyWEWPMILIPINBNL-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849616
1-[(5-bromo-2-pyridinyl)methyl]-5-butan-2-yl-2-ethyl-2-methylpiperazine
CID 104812499
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847296
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64848260
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840035
5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847295
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
CID 106440446
5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64843393

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine (CID 64849613) is 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine is CCC(C)C1CN(Cc2cccnc2)C(C)(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is WEWPMILIPINBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-14(3)16-12-20(17(4,6-2)13-19-16)11-15-8-7-9-18-10-15/h7-10,14,16,19H,5-6,11-13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64849613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).