1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine

C13H25FN2 — CID 88917852

IUPAC1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine
SMILESCC(C)C1CC(N2CCN(CCF)CC2)C1
InChIInChI=1S/C13H25FN2/c1-11(2)12-9-13(10-12)16-7-5-15(4-3-14)6-8-16/h11-13H,3-10H2,1-2H3
InChIKeyHPXANCIVZMQGAL-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine

1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine (PubChem CID 88917852) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine
PubChem CID88917852
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine
SMILESCC(C)C1CC(N2CCN(CCF)CC2)C1
InChIInChI=1S/C13H25FN2/c1-11(2)12-9-13(10-12)16-7-5-15(4-3-14)6-8-16/h11-13H,3-10H2,1-2H3
InChIKeyHPXANCIVZMQGAL-UHFFFAOYSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine (CID 88917852) is 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine is CC(C)C1CC(N2CCN(CCF)CC2)C1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine?
The InChIKey is HPXANCIVZMQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-11(2)12-9-13(10-12)16-7-5-15(4-3-14)6-8-16/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine?
1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine has a molecular weight of 228.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine is sourced from PubChem (CID 88917852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).