4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride

C15H22ClF3N2O — CID 71757707

IUPAC4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
SMILESCl.OCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O.ClH/c16-15(17,18)13-4-3-5-14(12-13)20-9-7-19(8-10-20)6-1-2-11-21;/h3-5,12,21H,1-2,6-11H2;1H
InChIKeyYWBVHBNFYLEKNX-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.02
Rot. Bonds5

About 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride

4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride (PubChem CID 71757707) has the molecular formula C15H22ClF3N2O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
PubChem CID71757707
Molecular FormulaC15H22ClF3N2O
Molecular Weight338.80 g/mol
Exact Mass338.14
IUPAC Name4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
SMILESCl.OCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O.ClH/c16-15(17,18)13-4-3-5-14(12-13)20-9-7-19(8-10-20)6-1-2-11-21;/h3-5,12,21H,1-2,6-11H2;1H
InChIKeyYWBVHBNFYLEKNX-UHFFFAOYSA-N
XLogP3.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
1-(1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 11532392
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
1-(3-thiophen-2-ylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 19372867
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234
2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
CID 110930670
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride?
The IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride (CID 71757707) is 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride.
What is the SMILES notation for 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride?
The canonical SMILES for 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride is Cl.OCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride?
The InChIKey is YWBVHBNFYLEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O.ClH/c16-15(17,18)13-4-3-5-14(12-13)20-9-7-19(8-10-20)6-1-2-11-21;/h3-5,12,21H,1-2,6-11H2;1H.
What are the key properties of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride?
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride is sourced from PubChem (CID 71757707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).