1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine

C19H27F2NO — CID 139379161

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine
SMILESCC1(C2CCN(CCc3cc(F)ccc3F)CC2)CCOCC1
InChIInChI=1S/C19H27F2NO/c1-19(7-12-23-13-8-19)16-5-10-22(11-6-16)9-4-15-14-17(20)2-3-18(15)21/h2-3,14,16H,4-13H2,1H3
InChIKeyYOTOQHPAKDLMEB-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.04
Rot. Bonds4

About 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine

1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine (PubChem CID 139379161) has the molecular formula C19H27F2NO and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine
PubChem CID139379161
Molecular FormulaC19H27F2NO
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine
SMILESCC1(C2CCN(CCc3cc(F)ccc3F)CC2)CCOCC1
InChIInChI=1S/C19H27F2NO/c1-19(7-12-23-13-8-19)16-5-10-22(11-6-16)9-4-15-14-17(20)2-3-18(15)21/h2-3,14,16H,4-13H2,1H3
InChIKeyYOTOQHPAKDLMEB-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine (CID 139379161) is 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine is CC1(C2CCN(CCc3cc(F)ccc3F)CC2)CCOCC1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine?
The InChIKey is YOTOQHPAKDLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO/c1-19(7-12-23-13-8-19)16-5-10-22(11-6-16)9-4-15-14-17(20)2-3-18(15)21/h2-3,14,16H,4-13H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine?
1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine has a molecular weight of 323.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-4-(4-methyloxan-4-yl)piperidine is sourced from PubChem (CID 139379161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).