5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde

C17H16F3NO — CID 166552488

IUPAC5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(N3CCC(C(F)(F)F)CC3)cccc2c1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-6-8-21(9-7-14)16-3-1-2-13-10-12(11-22)4-5-15(13)16/h1-5,10-11,14H,6-9H2
InChIKeyXDIXGSQYWUUAMG-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.43
Rot. Bonds2

About 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde

5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde (PubChem CID 166552488) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde
PubChem CID166552488
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(N3CCC(C(F)(F)F)CC3)cccc2c1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-6-8-21(9-7-14)16-3-1-2-13-10-12(11-22)4-5-15(13)16/h1-5,10-11,14H,6-9H2
InChIKeyXDIXGSQYWUUAMG-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde?
The IUPAC name of 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde (CID 166552488) is 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde?
The canonical SMILES for 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde is O=Cc1ccc2c(N3CCC(C(F)(F)F)CC3)cccc2c1.
What is the InChIKey of 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde?
The InChIKey is XDIXGSQYWUUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)14-6-8-21(9-7-14)16-3-1-2-13-10-12(11-22)4-5-15(13)16/h1-5,10-11,14H,6-9H2.
What are the key properties of 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde?
5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde has a molecular weight of 307.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 166552488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).