(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine

C14H26F3N — CID 134170711

IUPAC(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine
SMILESCCCC(C)(C)C[C@H]1CC[C@H](C(F)(F)F)N(C)C1
InChIInChI=1S/C14H26F3N/c1-5-8-13(2,3)9-11-6-7-12(14(15,16)17)18(4)10-11/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyVWTCJEHXAVLESI-VXGBXAGGSA-N
MW265.36 g/mol
LogP4.48
Rot. Bonds4

About (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine

(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine (PubChem CID 134170711) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine
PubChem CID134170711
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine
SMILESCCCC(C)(C)C[C@H]1CC[C@H](C(F)(F)F)N(C)C1
InChIInChI=1S/C14H26F3N/c1-5-8-13(2,3)9-11-6-7-12(14(15,16)17)18(4)10-11/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyVWTCJEHXAVLESI-VXGBXAGGSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine (CID 134170711) is (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine is CCCC(C)(C)C[C@H]1CC[C@H](C(F)(F)F)N(C)C1.
What is the InChIKey of (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine?
The InChIKey is VWTCJEHXAVLESI-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26F3N/c1-5-8-13(2,3)9-11-6-7-12(14(15,16)17)18(4)10-11/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine?
(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine has a molecular weight of 265.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 134170711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).