4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine

C20H30F3NO — CID 165134929

IUPAC4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine
SMILESCCC(C)(CC(C)N1CCC(OC)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H30F3NO/c1-5-19(3,16-6-8-17(9-7-16)20(21,22)23)14-15(2)24-12-10-18(25-4)11-13-24/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyNXDOGZAAJZXABC-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.26
Rot. Bonds6

About 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine

4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine (PubChem CID 165134929) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine
PubChem CID165134929
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine
SMILESCCC(C)(CC(C)N1CCC(OC)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H30F3NO/c1-5-19(3,16-6-8-17(9-7-16)20(21,22)23)14-15(2)24-12-10-18(25-4)11-13-24/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyNXDOGZAAJZXABC-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine?
The IUPAC name of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine (CID 165134929) is 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine is CCC(C)(CC(C)N1CCC(OC)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine?
The InChIKey is NXDOGZAAJZXABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO/c1-5-19(3,16-6-8-17(9-7-16)20(21,22)23)14-15(2)24-12-10-18(25-4)11-13-24/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine?
4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine has a molecular weight of 357.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine is sourced from PubChem (CID 165134929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).