2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol

C13H15ClF3NO — CID 82981318

IUPAC2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C13H15ClF3NO/c14-11-7-9(1-2-12(11)19)8-18-5-3-10(4-6-18)13(15,16)17/h1-2,7,10,19H,3-6,8H2
InChIKeyNGXMDOSOVDEVTR-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.82
Rot. Bonds2

About 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol

2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol (PubChem CID 82981318) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
PubChem CID82981318
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C13H15ClF3NO/c14-11-7-9(1-2-12(11)19)8-18-5-3-10(4-6-18)13(15,16)17/h1-2,7,10,19H,3-6,8H2
InChIKeyNGXMDOSOVDEVTR-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82979240
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062881
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
CID 142098999
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 82979175
2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol
CID 56883892
2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82974406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol (CID 82981318) is 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol is Oc1ccc(CN2CCC(C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is NGXMDOSOVDEVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c14-11-7-9(1-2-12(11)19)8-18-5-3-10(4-6-18)13(15,16)17/h1-2,7,10,19H,3-6,8H2.
What are the key properties of 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 293.72 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 82981318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).