(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride

C14H22ClFN2O — CID 171174171

IUPAC(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
SMILESCl.OCCC[C@@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C14H21FN2O.ClH/c15-13-5-2-1-4-12(13)14(6-3-11-18)17-9-7-16-8-10-17;/h1-2,4-5,14,16,18H,3,6-11H2;1H/t14-;/m0./s1
InChIKeyMJGKNCDWVHHLPW-UQKRIMTDSA-N
MW288.79 g/mol
LogP1.97
Rot. Bonds5

About (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride

(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride (PubChem CID 171174171) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
PubChem CID171174171
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
SMILESCl.OCCC[C@@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C14H21FN2O.ClH/c15-13-5-2-1-4-12(13)14(6-3-11-18)17-9-7-16-8-10-17;/h1-2,4-5,14,16,18H,3,6-11H2;1H/t14-;/m0./s1
InChIKeyMJGKNCDWVHHLPW-UQKRIMTDSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174180
(4S)-4-(2-chloro-3-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174284
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
(4R)-4-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171173694
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266
(4S)-4-(4-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174262
3-fluoro-4-[(1S)-4-hydroxy-1-piperazin-1-ylbutyl]phenol
CID 171174160
(4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173767
2-fluoro-6-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171173408

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride (CID 171174171) is (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride is Cl.OCCC[C@@H](c1ccccc1F)N1CCNCC1.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is MJGKNCDWVHHLPW-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c15-13-5-2-1-4-12(13)14(6-3-11-18)17-9-7-16-8-10-17;/h1-2,4-5,14,16,18H,3,6-11H2;1H/t14-;/m0./s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 171174171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).