3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine

C16H29FN2O — CID 156735119

IUPAC3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
SMILESFCC1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H29FN2O/c17-12-16(5-6-16)13-20-11-14-2-1-9-19(10-14)15-3-7-18-8-4-15/h14-15,18H,1-13H2
InChIKeyADCPTPWZROBAHK-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.22
Rot. Bonds6

About 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine

3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine (PubChem CID 156735119) has the molecular formula C16H29FN2O and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
PubChem CID156735119
Molecular FormulaC16H29FN2O
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
SMILESFCC1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H29FN2O/c17-12-16(5-6-16)13-20-11-14-2-1-9-19(10-14)15-3-7-18-8-4-15/h14-15,18H,1-13H2
InChIKeyADCPTPWZROBAHK-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine (CID 156735119) is 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine is FCC1(COCC2CCCN(C3CCNCC3)C2)CC1.
What is the InChIKey of 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
The InChIKey is ADCPTPWZROBAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O/c17-12-16(5-6-16)13-20-11-14-2-1-9-19(10-14)15-3-7-18-8-4-15/h14-15,18H,1-13H2.
What are the key properties of 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine has a molecular weight of 284.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 156735119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).