(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

C13H18ClFN2O — CID 1476125

IUPAC(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](CCl)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H18ClFN2O/c14-9-11(18)10-16-5-7-17(8-6-16)13-4-2-1-3-12(13)15/h1-4,11,18H,5-10H2/t11-/m0/s1
InChIKeyCTBSHSUWCHXCTL-NSHDSACASA-N
MW272.75 g/mol
LogP1.55
Rot. Bonds4

About (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 1476125) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID1476125
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](CCl)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H18ClFN2O/c14-9-11(18)10-16-5-7-17(8-6-16)13-4-2-1-3-12(13)15/h1-4,11,18H,5-10H2/t11-/m0/s1
InChIKeyCTBSHSUWCHXCTL-NSHDSACASA-N
XLogP1.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
(2R)-1-(3-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476137
1-(1-adamantyloxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 16804888
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 2132816
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
1-(2,3-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 18807413
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 1476125) is (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@@H](CCl)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is CTBSHSUWCHXCTL-NSHDSACASA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-9-11(18)10-16-5-7-17(8-6-16)13-4-2-1-3-12(13)15/h1-4,11,18H,5-10H2/t11-/m0/s1.
What are the key properties of (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 272.75 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1476125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).