3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium

C21H42FNOY — CID 160675025

IUPAC3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
SMILESC.C.C.CC(C)N1CCCC(F)C1.COc1cccc(C(C)C)c1.[Y]
InChIInChI=1S/C10H14O.C8H16FN.3CH4.Y/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)10-5-3-4-8(9)6-10;;;;/h4-8H,1-3H3;7-8H,3-6H2,1-2H3;3*1H4;
InChIKeyRNKOXQKPFVJVEY-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.55
Rot. Bonds3

About 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium

3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium (PubChem CID 160675025) has the molecular formula C21H42FNOY and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
PubChem CID160675025
Molecular FormulaC21H42FNOY
Molecular Weight432.48 g/mol
Exact Mass432.23
IUPAC Name3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
SMILESC.C.C.CC(C)N1CCCC(F)C1.COc1cccc(C(C)C)c1.[Y]
InChIInChI=1S/C10H14O.C8H16FN.3CH4.Y/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)10-5-3-4-8(9)6-10;;;;/h4-8H,1-3H3;7-8H,3-6H2,1-2H3;3*1H4;
InChIKeyRNKOXQKPFVJVEY-UHFFFAOYSA-N
XLogP6.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
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N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
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2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111347407
N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 71866104
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3638795
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium?
The IUPAC name of 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium (CID 160675025) is 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium?
The canonical SMILES for 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium is C.C.C.CC(C)N1CCCC(F)C1.COc1cccc(C(C)C)c1.[Y].
What is the InChIKey of 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium?
The InChIKey is RNKOXQKPFVJVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H16FN.3CH4.Y/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)10-5-3-4-8(9)6-10;;;;/h4-8H,1-3H3;7-8H,3-6H2,1-2H3;3*1H4;.
What are the key properties of 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium?
3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium has a molecular weight of 432.48 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium is sourced from PubChem (CID 160675025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).