1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol

C13H20FN3O — CID 67169964

IUPAC1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol
SMILESNc1ccc(N2CCN(CC(O)CF)CC2)cc1
InChIInChI=1S/C13H20FN3O/c14-9-13(18)10-16-5-7-17(8-6-16)12-3-1-11(15)2-4-12/h1-4,13,18H,5-10,15H2
InChIKeyHMMXTOCXXMISTI-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.72
Rot. Bonds4

About 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol

1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol (PubChem CID 67169964) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol
PubChem CID67169964
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol
SMILESNc1ccc(N2CCN(CC(O)CF)CC2)cc1
InChIInChI=1S/C13H20FN3O/c14-9-13(18)10-16-5-7-17(8-6-16)12-3-1-11(15)2-4-12/h1-4,13,18H,5-10,15H2
InChIKeyHMMXTOCXXMISTI-UHFFFAOYSA-N
XLogP0.72
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol
CID 23103836
4-[4-(2-methylpentyl)piperazin-1-yl]aniline
CID 62265544
(2S)-1-(4-aminophenoxy)-3-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-2-ol;ethane
CID 143892719
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
4-[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]benzoic acid
CID 138039616
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 82298497
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
4-[4-(4-tritiooxyphenyl)piperazin-1-yl]aniline
CID 59890327
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol?
The IUPAC name of 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol (CID 67169964) is 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol is Nc1ccc(N2CCN(CC(O)CF)CC2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol?
The InChIKey is HMMXTOCXXMISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-9-13(18)10-16-5-7-17(8-6-16)12-3-1-11(15)2-4-12/h1-4,13,18H,5-10,15H2.
What are the key properties of 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol?
1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)piperazin-1-yl]-3-fluoropropan-2-ol is sourced from PubChem (CID 67169964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).