1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine

C9H17FN2 — CID 130652216

IUPAC1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine
SMILESCC1CNCCN1CC1(F)CC1
InChIInChI=1S/C9H17FN2/c1-8-6-11-4-5-12(8)7-9(10)2-3-9/h8,11H,2-7H2,1H3
InChIKeyNTUGUTIWUMPZMN-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.78
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine

1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine (PubChem CID 130652216) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine
PubChem CID130652216
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine
SMILESCC1CNCCN1CC1(F)CC1
InChIInChI=1S/C9H17FN2/c1-8-6-11-4-5-12(8)7-9(10)2-3-9/h8,11H,2-7H2,1H3
InChIKeyNTUGUTIWUMPZMN-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine (CID 130652216) is 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine is CC1CNCCN1CC1(F)CC1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine?
The InChIKey is NTUGUTIWUMPZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-8-6-11-4-5-12(8)7-9(10)2-3-9/h8,11H,2-7H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine?
1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine has a molecular weight of 172.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 130652216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).