(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol

C16H23FN2O — CID 97038981

IUPAC(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(Cc2cccc(F)c2)CC1)C1CC1
InChIInChI=1S/C16H23FN2O/c17-15-3-1-2-13(10-15)11-18-6-8-19(9-7-18)12-16(20)14-4-5-14/h1-3,10,14,16,20H,4-9,11-12H2/t16-/m0/s1
InChIKeySZZRDQFESYCAMM-INIZCTEOSA-N
MW278.37 g/mol
LogP1.71
Rot. Bonds5

About (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol

(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 97038981) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID97038981
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(Cc2cccc(F)c2)CC1)C1CC1
InChIInChI=1S/C16H23FN2O/c17-15-3-1-2-13(10-15)11-18-6-8-19(9-7-18)12-16(20)14-4-5-14/h1-3,10,14,16,20H,4-9,11-12H2/t16-/m0/s1
InChIKeySZZRDQFESYCAMM-INIZCTEOSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
(2R)-1-(4-chlorophenoxy)-3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66550775
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310279

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol (CID 97038981) is (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol is O[C@@H](CN1CCN(Cc2cccc(F)c2)CC1)C1CC1.
What is the InChIKey of (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is SZZRDQFESYCAMM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-3-1-2-13(10-15)11-18-6-8-19(9-7-18)12-16(20)14-4-5-14/h1-3,10,14,16,20H,4-9,11-12H2/t16-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 278.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 97038981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).