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

C16H28F2N2O — CID 156735032

IUPAC3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
SMILESFC(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H28F2N2O/c17-15(18)16(5-6-16)12-21-11-13-2-1-9-20(10-13)14-3-7-19-8-4-14/h13-15,19H,1-12H2
InChIKeyDHIZXADMKBJUCZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.51
Rot. Bonds6

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

3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine (PubChem CID 156735032) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
PubChem CID156735032
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
SMILESFC(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H28F2N2O/c17-15(18)16(5-6-16)12-21-11-13-2-1-9-20(10-13)14-3-7-19-8-4-14/h13-15,19H,1-12H2
InChIKeyDHIZXADMKBJUCZ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine (CID 156735032) is 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine is FC(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1.
What is the InChIKey of 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
The InChIKey is DHIZXADMKBJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c17-15(18)16(5-6-16)12-21-11-13-2-1-9-20(10-13)14-3-7-19-8-4-14/h13-15,19H,1-12H2.
What are the key properties of 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine?
3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine has a molecular weight of 302.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 156735032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).