1-(1-fluoropropyl)piperazine

C7H15FN2 — CID 91569783

IUPAC1-(1-fluoropropyl)piperazine
SMILESCCC(F)N1CCNCC1
InChIInChI=1S/C7H15FN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3
InChIKeyTWRCYEQWPZLXOS-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.60
Rot. Bonds2

About 1-(1-fluoropropyl)piperazine

1-(1-fluoropropyl)piperazine (PubChem CID 91569783) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-(1-fluoropropyl)piperazine.

Molecular Properties

Compound Name1-(1-fluoropropyl)piperazine
PubChem CID91569783
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-(1-fluoropropyl)piperazine
SMILESCCC(F)N1CCNCC1
InChIInChI=1S/C7H15FN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3
InChIKeyTWRCYEQWPZLXOS-UHFFFAOYSA-N
XLogP0.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1-fluoropropyl)piperidine
CID 68907718
1-(1-bromopropyl)piperazine
CID 135292234
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
fluoromethane;1-(1-methoxybutan-2-yl)piperazine
CID 162038929
1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
3-piperazin-1-ylpentan-2-one
CID 68969032
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 67446886
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
1-[1-(2-methylcyclopropyl)propyl]piperazine
CID 130624289

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropyl)piperazine?
The IUPAC name of 1-(1-fluoropropyl)piperazine (CID 91569783) is 1-(1-fluoropropyl)piperazine.
What is the SMILES notation for 1-(1-fluoropropyl)piperazine?
The canonical SMILES for 1-(1-fluoropropyl)piperazine is CCC(F)N1CCNCC1.
What is the InChIKey of 1-(1-fluoropropyl)piperazine?
The InChIKey is TWRCYEQWPZLXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3.
What are the key properties of 1-(1-fluoropropyl)piperazine?
1-(1-fluoropropyl)piperazine has a molecular weight of 146.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropyl)piperazine is sourced from PubChem (CID 91569783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).