piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

C10H14F3NO — CID 126545055

IUPACpiperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCCCC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(4-5-9)8(15)14-6-2-1-3-7-14/h1-7H2
InChIKeyGZGTXZAWDORGKZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.34
Rot. Bonds1

About piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 126545055) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID126545055
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Namepiperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCCCC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(4-5-9)8(15)14-6-2-1-3-7-14/h1-7H2
InChIKeyGZGTXZAWDORGKZ-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (CID 126545055) is piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCCCC1)C1(C(F)(F)F)CC1.
What is the InChIKey of piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is GZGTXZAWDORGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(4-5-9)8(15)14-6-2-1-3-7-14/h1-7H2.
What are the key properties of piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 221.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 126545055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).