(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride

C14H19Cl2F3N2O2 — CID 171173771

IUPAC(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H18ClF3N2O2.ClH/c15-11-9-10(1-2-13(11)22-14(16,17)18)12(3-8-21)20-6-4-19-5-7-20;/h1-2,9,12,19,21H,3-8H2;1H/t12-;/m1./s1
InChIKeyAXMHUBOJFAHQKU-UTONKHPSSA-N
MW375.22 g/mol
LogP2.99
Rot. Bonds5

About (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171173771) has the molecular formula C14H19Cl2F3N2O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171173771
Molecular FormulaC14H19Cl2F3N2O2
Molecular Weight375.22 g/mol
Exact Mass374.08
IUPAC Name(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCl.OCC[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H18ClF3N2O2.ClH/c15-11-9-10(1-2-13(11)22-14(16,17)18)12(3-8-21)20-6-4-19-5-7-20;/h1-2,9,12,19,21H,3-8H2;1H/t12-;/m1./s1
InChIKeyAXMHUBOJFAHQKU-UTONKHPSSA-N
XLogP2.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171165636
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181992
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311036
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171170981
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171171119
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171292097
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine
CID 171165767
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
(3R)-3-[3-chloro-4-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174033
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171173820
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171279473
1-[(1R)-4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171077

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171173771) is (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride is Cl.OCC[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)N1CCNCC1.
What is the InChIKey of (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is AXMHUBOJFAHQKU-UTONKHPSSA-N. The full InChI is InChI=1S/C14H18ClF3N2O2.ClH/c15-11-9-10(1-2-13(11)22-14(16,17)18)12(3-8-21)20-6-4-19-5-7-20;/h1-2,9,12,19,21H,3-8H2;1H/t12-;/m1./s1.
What are the key properties of (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 375.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171173771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).