2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine

C14H29FN2 — CID 81114309

IUPAC2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCF)C(C(C)CC)CN1
InChIInChI=1S/C14H29FN2/c1-4-7-13-11-17(9-6-8-15)14(10-16-13)12(3)5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyCFMLAAQPGCTMLS-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.83
Rot. Bonds7

About 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine

2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine (PubChem CID 81114309) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
PubChem CID81114309
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCF)C(C(C)CC)CN1
InChIInChI=1S/C14H29FN2/c1-4-7-13-11-17(9-6-8-15)14(10-16-13)12(3)5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyCFMLAAQPGCTMLS-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
1-(3-fluoropropyl)-2,5-dipropylpiperazine
CID 81114186
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170424
2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
CID 103016284
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine (CID 81114309) is 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine is CCCC1CN(CCCF)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine?
The InChIKey is CFMLAAQPGCTMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-4-7-13-11-17(9-6-8-15)14(10-16-13)12(3)5-2/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine?
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine is sourced from PubChem (CID 81114309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).