3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

C16H20F3NO3 — CID 56506045

IUPAC3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESFC(F)(F)Oc1ccc(CN2CCCC(C3OCCO3)C2)cc1
InChIInChI=1S/C16H20F3NO3/c17-16(18,19)23-14-5-3-12(4-6-14)10-20-7-1-2-13(11-20)15-21-8-9-22-15/h3-6,13,15H,1-2,7-11H2
InChIKeyKACQAOUINBERGN-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.17
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 56506045) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID56506045
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESFC(F)(F)Oc1ccc(CN2CCCC(C3OCCO3)C2)cc1
InChIInChI=1S/C16H20F3NO3/c17-16(18,19)23-14-5-3-12(4-6-14)10-20-7-1-2-13(11-20)15-21-8-9-22-15/h3-6,13,15H,1-2,7-11H2
InChIKeyKACQAOUINBERGN-UHFFFAOYSA-N
XLogP3.17
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
3-[[4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927636
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
(3aR,4R,7aS)-4-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135096750
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (CID 56506045) is 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is FC(F)(F)Oc1ccc(CN2CCCC(C3OCCO3)C2)cc1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is KACQAOUINBERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c17-16(18,19)23-14-5-3-12(4-6-14)10-20-7-1-2-13(11-20)15-21-8-9-22-15/h3-6,13,15H,1-2,7-11H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 331.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 56506045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).