1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine

C16H22F3N — CID 173051074

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1=C(C2CCN(CC3CC3(F)F)CC2)C=C(F)CC1
InChIInChI=1S/C16H22F3N/c1-11-2-3-14(17)8-15(11)12-4-6-20(7-5-12)10-13-9-16(13,18)19/h8,12-13H,2-7,9-10H2,1H3
InChIKeyFOWOCZFZDUAJDG-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.32
Rot. Bonds3

About 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine

1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 173051074) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID173051074
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1=C(C2CCN(CC3CC3(F)F)CC2)C=C(F)CC1
InChIInChI=1S/C16H22F3N/c1-11-2-3-14(17)8-15(11)12-4-6-20(7-5-12)10-13-9-16(13,18)19/h8,12-13H,2-7,9-10H2,1H3
InChIKeyFOWOCZFZDUAJDG-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine (CID 173051074) is 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine is CC1=C(C2CCN(CC3CC3(F)F)CC2)C=C(F)CC1.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is FOWOCZFZDUAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-2-3-14(17)8-15(11)12-4-6-20(7-5-12)10-13-9-16(13,18)19/h8,12-13H,2-7,9-10H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine?
1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 285.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 173051074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).