4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine

C12H14F3NO — CID 175691853

IUPAC4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
SMILES[2H]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)17-11-6-4-10(5-7-11)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2/i1D
InChIKeyKOWSXMVTEHZFSA-MICDWDOJSA-N
MW246.25 g/mol
LogP3.58
Rot. Bonds2

About 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine

4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 175691853) has the molecular formula C12H14F3NO and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
PubChem CID175691853
Molecular FormulaC12H14F3NO
Molecular Weight246.25 g/mol
Exact Mass246.11
IUPAC Name4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
SMILES[2H]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)17-11-6-4-10(5-7-11)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2/i1D
InChIKeyKOWSXMVTEHZFSA-MICDWDOJSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 142618828
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 87029924
1-pentyl-4-[4-(trifluoromethoxy)phenyl]piperazine
CID 90698540
4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
CID 70874455
1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039
3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64941897
1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
CID 175748238
2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane
CID 135192815

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine (CID 175691853) is 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine is [2H]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is KOWSXMVTEHZFSA-MICDWDOJSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)17-11-6-4-10(5-7-11)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2/i1D.
What are the key properties of 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine?
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 246.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 175691853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).