(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride

C15H24ClFN2O — CID 171173568

IUPAC(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
SMILESCc1cc([C@@H](CCCO)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-12-11-13(4-5-14(12)16)15(3-2-10-19)18-8-6-17-7-9-18;/h4-5,11,15,17,19H,2-3,6-10H2,1H3;1H/t15-;/m1./s1
InChIKeyDPLYVJNFGLYWLX-XFULWGLBSA-N
MW302.82 g/mol
LogP2.27
Rot. Bonds5

About (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride

(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride (PubChem CID 171173568) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
PubChem CID171173568
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC Name(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
SMILESCc1cc([C@@H](CCCO)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-12-11-13(4-5-14(12)16)15(3-2-10-19)18-8-6-17-7-9-18;/h4-5,11,15,17,19H,2-3,6-10H2,1H3;1H/t15-;/m1./s1
InChIKeyDPLYVJNFGLYWLX-XFULWGLBSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
(4S)-4-(3-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174249
1-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
(4S)-4-piperazin-1-yl-4-(3,4,5-trifluorophenyl)butan-1-ol;hydrochloride
CID 171174457
(3S)-3-(3-bromo-4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174200
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride (CID 171173568) is (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride is Cc1cc([C@@H](CCCO)N2CCNCC2)ccc1F.Cl.
What is the InChIKey of (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is DPLYVJNFGLYWLX-XFULWGLBSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-12-11-13(4-5-14(12)16)15(3-2-10-19)18-8-6-17-7-9-18;/h4-5,11,15,17,19H,2-3,6-10H2,1H3;1H/t15-;/m1./s1.
What are the key properties of (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride?
(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 171173568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).