1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C13H22F3NO — CID 177292149

IUPAC1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC1OCC1N1CCC(C(C)C)(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-9(2)12(13(14,15)16)4-6-17(7-5-12)11-8-18-10(11)3/h9-11H,4-8H2,1-3H3
InChIKeyPAWNRWTVHRJYGW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 177292149) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID177292149
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC1OCC1N1CCC(C(C)C)(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-9(2)12(13(14,15)16)4-6-17(7-5-12)11-8-18-10(11)3/h9-11H,4-8H2,1-3H3
InChIKeyPAWNRWTVHRJYGW-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 177292149) is 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC1OCC1N1CCC(C(C)C)(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is PAWNRWTVHRJYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9(2)12(13(14,15)16)4-6-17(7-5-12)11-8-18-10(11)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 265.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 177292149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).