(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol

C14H19F3N2O — CID 171173689

IUPAC(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCC[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-3-1-2-11(10-12)13(4-9-20)19-7-5-18-6-8-19/h1-3,10,13,18,20H,4-9H2/t13-/m1/s1
InChIKeyYKCLFDXZBLKCBP-CYBMUJFWSA-N
MW288.31 g/mol
LogP2.03
Rot. Bonds4

About (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol

(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 171173689) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID171173689
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOCC[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-3-1-2-11(10-12)13(4-9-20)19-7-5-18-6-8-19/h1-3,10,13,18,20H,4-9H2/t13-/m1/s1
InChIKeyYKCLFDXZBLKCBP-CYBMUJFWSA-N
XLogP2.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171291315
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
1-[1-[3-(trifluoromethyl)phenyl]pentyl]-1,4-diazepane
CID 4210350
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171173340
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174113
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171173820
(3R)-3-[3-chloro-4-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174033

Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 171173689) is (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol is OCC[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is YKCLFDXZBLKCBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)12-3-1-2-11(10-12)13(4-9-20)19-7-5-18-6-8-19/h1-3,10,13,18,20H,4-9H2/t13-/m1/s1.
What are the key properties of (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 171173689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).