4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C14H18F3NO — CID 80702504

IUPAC4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO/c1-13(19)6-8-18(9-7-13)10-11-2-4-12(5-3-11)14(15,16)17/h2-5,19H,6-10H2,1H3
InChIKeyPKOKUSSZZLQKPS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.05
Rot. Bonds2

About 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 80702504) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID80702504
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO/c1-13(19)6-8-18(9-7-13)10-11-2-4-12(5-3-11)14(15,16)17/h2-5,19H,6-10H2,1H3
InChIKeyPKOKUSSZZLQKPS-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
8-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849856
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
2-[4-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 162606668
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzonitrile
CID 107404533
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 80702504) is 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is CC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is PKOKUSSZZLQKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(19)6-8-18(9-7-13)10-11-2-4-12(5-3-11)14(15,16)17/h2-5,19H,6-10H2,1H3.
What are the key properties of 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 273.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 80702504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).