1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde

C10H14F3NO — CID 175417286

IUPAC1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(3-4-9)14-5-1-8(7-15)2-6-14/h7-8H,1-6H2
InChIKeyAYPJDOWFENFPNK-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.99
Rot. Bonds2

About 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde

1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde (PubChem CID 175417286) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde
PubChem CID175417286
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(3-4-9)14-5-1-8(7-15)2-6-14/h7-8H,1-6H2
InChIKeyAYPJDOWFENFPNK-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.99
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 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde (CID 175417286) is 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde is O=CC1CCN(C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde?
The InChIKey is AYPJDOWFENFPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(3-4-9)14-5-1-8(7-15)2-6-14/h7-8H,1-6H2.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde?
1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde has a molecular weight of 221.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 175417286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).