2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde

C15H25F3N2O — CID 170115090

IUPAC2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde
SMILESO=CC(NC1CCCCC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)11-20-8-6-12(7-9-20)14(10-21)19-13-4-2-1-3-5-13/h10,12-14,19H,1-9,11H2
InChIKeyYGOUXHWZKXXINB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.75
Rot. Bonds5

About 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde

2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde (PubChem CID 170115090) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde
PubChem CID170115090
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde
SMILESO=CC(NC1CCCCC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)11-20-8-6-12(7-9-20)14(10-21)19-13-4-2-1-3-5-13/h10,12-14,19H,1-9,11H2
InChIKeyYGOUXHWZKXXINB-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde (CID 170115090) is 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde is O=CC(NC1CCCCC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde?
The InChIKey is YGOUXHWZKXXINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c16-15(17,18)11-20-8-6-12(7-9-20)14(10-21)19-13-4-2-1-3-5-13/h10,12-14,19H,1-9,11H2.
What are the key properties of 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde?
2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde has a molecular weight of 306.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 170115090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).