1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine

C11H19F2NO — CID 126793833

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2NO/c1-15-10-2-4-14(5-3-10)8-9-6-11(12,13)7-9/h9-10H,2-8H2,1H3
InChIKeyWQYUMSJGJNRWRZ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds3

About 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine

1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine (PubChem CID 126793833) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
PubChem CID126793833
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
SMILESCOC1CCN(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2NO/c1-15-10-2-4-14(5-3-10)8-9-6-11(12,13)7-9/h9-10H,2-8H2,1H3
InChIKeyWQYUMSJGJNRWRZ-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
CID 126759873
4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
CID 126793759
1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine
CID 129199350
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine
CID 166981313
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
CID 172904789
4-[(4-methoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929054

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine (CID 126793833) is 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine is COC1CCN(CC2CC(F)(F)C2)CC1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine?
The InChIKey is WQYUMSJGJNRWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-15-10-2-4-14(5-3-10)8-9-6-11(12,13)7-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine?
1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine has a molecular weight of 219.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 126793833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).