2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine

C16H24FN3 — CID 60918844

IUPAC2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
SMILESCC(N)(CN1CCN(c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C16H24FN3/c1-16(18,13-6-7-13)12-19-8-10-20(11-9-19)15-5-3-2-4-14(15)17/h2-5,13H,6-12,18H2,1H3
InChIKeyPLRVJMZWHBGLOC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.08
Rot. Bonds4

About 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine

2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine (PubChem CID 60918844) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
PubChem CID60918844
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
SMILESCC(N)(CN1CCN(c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C16H24FN3/c1-16(18,13-6-7-13)12-19-8-10-20(11-9-19)15-5-3-2-4-14(15)17/h2-5,13H,6-12,18H2,1H3
InChIKeyPLRVJMZWHBGLOC-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760
N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 62834462
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine (CID 60918844) is 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine is CC(N)(CN1CCN(c2ccccc2F)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine?
The InChIKey is PLRVJMZWHBGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-16(18,13-6-7-13)12-19-8-10-20(11-9-19)15-5-3-2-4-14(15)17/h2-5,13H,6-12,18H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine?
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 60918844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).