(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine

C18H26F2N2O — CID 166990396

IUPAC(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine
SMILESNC1CCCN[C@H]1COC1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C18H26F2N2O/c19-15-4-1-3-14(18(15)20)12-6-8-13(9-7-12)23-11-17-16(21)5-2-10-22-17/h1,3-4,12-13,16-17,22H,2,5-11,21H2/t12?,13?,16?,17-/m0/s1
InChIKeyZLDKYHYNKKMUOX-AMCGCOJJSA-N
MW324.42 g/mol
LogP3.09
Rot. Bonds4

About (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine

(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine (PubChem CID 166990396) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine.

Molecular Properties

Compound Name(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine
PubChem CID166990396
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine
SMILESNC1CCCN[C@H]1COC1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C18H26F2N2O/c19-15-4-1-3-14(18(15)20)12-6-8-13(9-7-12)23-11-17-16(21)5-2-10-22-17/h1,3-4,12-13,16-17,22H,2,5-11,21H2/t12?,13?,16?,17-/m0/s1
InChIKeyZLDKYHYNKKMUOX-AMCGCOJJSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cis-2-[(cis-4-phenylcyclohexoxy)methyl]-3-piperidyl]methanesulfonamide
CID 130310078
(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 73057693
US10287305, Example 10
CID 130310081
US10287305, Example 13
CID 130310082
US10287305, Example 18
CID 130310085
US10287305, Example 15
CID 130310088
US10287305, Example 21
CID 130310090
US10287305, Example 7
CID 130310092
US10287305, Example 115
CID 130310186
US10287305, Example 239
CID 130310294
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 153338425
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine?
The IUPAC name of (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine (CID 166990396) is (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine.
What is the SMILES notation for (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine?
The canonical SMILES for (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine is NC1CCCN[C@H]1COC1CCC(c2cccc(F)c2F)CC1.
What is the InChIKey of (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine?
The InChIKey is ZLDKYHYNKKMUOX-AMCGCOJJSA-N. The full InChI is InChI=1S/C18H26F2N2O/c19-15-4-1-3-14(18(15)20)12-6-8-13(9-7-12)23-11-17-16(21)5-2-10-22-17/h1,3-4,12-13,16-17,22H,2,5-11,21H2/t12?,13?,16?,17-/m0/s1.
What are the key properties of (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine?
(2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine has a molecular weight of 324.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine is sourced from PubChem (CID 166990396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).