(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine

C18H26F2N2O — CID 68654566

IUPAC(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
SMILESN[C@@H]1[C@H](F)CCO[C@@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H26F2N2O/c19-15-5-3-13(4-6-15)10-14-2-1-8-22(11-14)12-17-18(21)16(20)7-9-23-17/h3-6,14,16-18H,1-2,7-12,21H2/t14-,16+,17+,18+/m0/s1
InChIKeyJDDCFCFWTGSMDQ-DZOHQFGASA-N
MW324.41 g/mol
LogP2.53
Rot. Bonds4

About (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine

(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine (PubChem CID 68654566) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine.

Molecular Properties

Compound Name(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
PubChem CID68654566
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC Name(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
SMILESN[C@@H]1[C@H](F)CCO[C@@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H26F2N2O/c19-15-5-3-13(4-6-15)10-14-2-1-8-22(11-14)12-17-18(21)16(20)7-9-23-17/h3-6,14,16-18H,1-2,7-12,21H2/t14-,16+,17+,18+/m0/s1
InChIKeyJDDCFCFWTGSMDQ-DZOHQFGASA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine with MolForge

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Related Compounds

1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
1-(3-acetylphenyl)-3-[4-fluoro-2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]urea
CID 75184826
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
N-[(1R,3S,4R)-4-amino-3-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-N-methylacetamide
CID 59691729
(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882985
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
CID 64504117
3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 56862084
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
1-[4-fluoro-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]-3-(4-methoxyphenyl)urea
CID 75184770
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The IUPAC name of (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine (CID 68654566) is (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine.
What is the SMILES notation for (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The canonical SMILES for (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine is N[C@@H]1[C@H](F)CCO[C@@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1.
What is the InChIKey of (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The InChIKey is JDDCFCFWTGSMDQ-DZOHQFGASA-N. The full InChI is InChI=1S/C18H26F2N2O/c19-15-5-3-13(4-6-15)10-14-2-1-8-22(11-14)12-17-18(21)16(20)7-9-23-17/h3-6,14,16-18H,1-2,7-12,21H2/t14-,16+,17+,18+/m0/s1.
What are the key properties of (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine has a molecular weight of 324.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine is sourced from PubChem (CID 68654566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).