(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol

C22H29FN2O — CID 34187761

IUPAC(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1ccc(CN2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H29FN2O/c1-17(2)19-9-7-18(8-10-19)15-24-11-13-25(14-12-24)16-22(26)20-5-3-4-6-21(20)23/h3-10,17,22,26H,11-16H2,1-2H3/t22-/m1/s1
InChIKeyWDZCBGGQBDLGOU-JOCHJYFZSA-N
MW356.49 g/mol
LogP3.80
Rot. Bonds6

About (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol

(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 34187761) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID34187761
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1ccc(CN2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H29FN2O/c1-17(2)19-9-7-18(8-10-19)15-24-11-13-25(14-12-24)16-22(26)20-5-3-4-6-21(20)23/h3-10,17,22,26H,11-16H2,1-2H3/t22-/m1/s1
InChIKeyWDZCBGGQBDLGOU-JOCHJYFZSA-N
XLogP3.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 111421571
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 51113622
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
[(1S)-1-(2-fluorophenyl)-3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]urea
CID 39322980
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol (CID 34187761) is (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol is CC(C)c1ccc(CN2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1.
What is the InChIKey of (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is WDZCBGGQBDLGOU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-17(2)19-9-7-18(8-10-19)15-24-11-13-25(14-12-24)16-22(26)20-5-3-4-6-21(20)23/h3-10,17,22,26H,11-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol?
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 356.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 34187761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).