1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine

C16H27F3N2O — CID 156735063

IUPAC1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine
SMILESFC(F)(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H27F3N2O/c17-16(18,19)15(5-6-15)12-22-11-13-2-1-9-21(10-13)14-3-7-20-8-4-14/h13-14,20H,1-12H2
InChIKeyLOFDZYFGWVVWFH-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.81
Rot. Bonds5

About 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine

1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine (PubChem CID 156735063) has the molecular formula C16H27F3N2O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine
PubChem CID156735063
Molecular FormulaC16H27F3N2O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine
SMILESFC(F)(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H27F3N2O/c17-16(18,19)15(5-6-15)12-22-11-13-2-1-9-21(10-13)14-3-7-20-8-4-14/h13-14,20H,1-12H2
InChIKeyLOFDZYFGWVVWFH-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine?
The IUPAC name of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine (CID 156735063) is 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine.
What is the SMILES notation for 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine?
The canonical SMILES for 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine is FC(F)(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1.
What is the InChIKey of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine?
The InChIKey is LOFDZYFGWVVWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O/c17-16(18,19)15(5-6-15)12-22-11-13-2-1-9-21(10-13)14-3-7-20-8-4-14/h13-14,20H,1-12H2.
What are the key properties of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine?
1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine has a molecular weight of 320.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine is sourced from PubChem (CID 156735063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).