1-(3-fluoropropyl)-2,2,4-trimethylpiperazine

C10H21FN2 — CID 130693360

IUPAC1-(3-fluoropropyl)-2,2,4-trimethylpiperazine
SMILESCN1CCN(CCCF)C(C)(C)C1
InChIInChI=1S/C10H21FN2/c1-10(2)9-12(3)7-8-13(10)6-4-5-11/h4-9H2,1-3H3
InChIKeyOSFDMVHHFWZZGC-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds3

About 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine

1-(3-fluoropropyl)-2,2,4-trimethylpiperazine (PubChem CID 130693360) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,2,4-trimethylpiperazine
PubChem CID130693360
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-(3-fluoropropyl)-2,2,4-trimethylpiperazine
SMILESCN1CCN(CCCF)C(C)(C)C1
InChIInChI=1S/C10H21FN2/c1-10(2)9-12(3)7-8-13(10)6-4-5-11/h4-9H2,1-3H3
InChIKeyOSFDMVHHFWZZGC-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid
CID 57258120
1-but-2-ynyl-2,2,4-trimethylpiperazine
CID 130683773
ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616900
4-[(2,2,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 122029124
2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
CID 115014342
1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163889613
8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 81114319
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-2,5-dimethylpiperazine
CID 81114433
3,3-diethyl-1-methylpyrrolidine;ethane
CID 177188289
1-(3-chloropropyl)-2,2-dimethylpyrrolidine
CID 23091634
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine?
The IUPAC name of 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine (CID 130693360) is 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine?
The canonical SMILES for 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine is CN1CCN(CCCF)C(C)(C)C1.
What is the InChIKey of 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine?
The InChIKey is OSFDMVHHFWZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-10(2)9-12(3)7-8-13(10)6-4-5-11/h4-9H2,1-3H3.
What are the key properties of 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine?
1-(3-fluoropropyl)-2,2,4-trimethylpiperazine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,2,4-trimethylpiperazine is sourced from PubChem (CID 130693360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).