4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine

C17H29F5N2 — CID 146632258

IUPAC4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine
SMILESCC(CC1CCCN(C(C)C)C1C(F)(F)F)N1CCC(F)(F)CC1
InChIInChI=1S/C17H29F5N2/c1-12(2)24-8-4-5-14(15(24)17(20,21)22)11-13(3)23-9-6-16(18,19)7-10-23/h12-15H,4-11H2,1-3H3
InChIKeyDJKYWMLRRYZULN-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.55
Rot. Bonds4

About 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine

4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine (PubChem CID 146632258) has the molecular formula C17H29F5N2 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine
PubChem CID146632258
Molecular FormulaC17H29F5N2
Molecular Weight356.42 g/mol
Exact Mass356.23
IUPAC Name4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine
SMILESCC(CC1CCCN(C(C)C)C1C(F)(F)F)N1CCC(F)(F)CC1
InChIInChI=1S/C17H29F5N2/c1-12(2)24-8-4-5-14(15(24)17(20,21)22)11-13(3)23-9-6-16(18,19)7-10-23/h12-15H,4-11H2,1-3H3
InChIKeyDJKYWMLRRYZULN-UHFFFAOYSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine?
The IUPAC name of 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine (CID 146632258) is 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine is CC(CC1CCCN(C(C)C)C1C(F)(F)F)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine?
The InChIKey is DJKYWMLRRYZULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F5N2/c1-12(2)24-8-4-5-14(15(24)17(20,21)22)11-13(3)23-9-6-16(18,19)7-10-23/h12-15H,4-11H2,1-3H3.
What are the key properties of 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine?
4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine has a molecular weight of 356.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[1-[1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]piperidine is sourced from PubChem (CID 146632258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).