2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine

C18H27FN2O — CID 22318374

IUPAC2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
SMILESNC1CCCOC1CN1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2O/c19-16-7-5-14(6-8-16)11-15-3-1-9-21(12-15)13-18-17(20)4-2-10-22-18/h5-8,15,17-18H,1-4,9-13,20H2
InChIKeyGVFXAULTMDJPHO-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.59
Rot. Bonds4

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

2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine (PubChem CID 22318374) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine.

Molecular Properties

Compound Name2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
PubChem CID22318374
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
SMILESNC1CCCOC1CN1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2O/c19-16-7-5-14(6-8-16)11-15-3-1-9-21(12-15)13-18-17(20)4-2-10-22-18/h5-8,15,17-18H,1-4,9-13,20H2
InChIKeyGVFXAULTMDJPHO-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(R)-1-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)piperidin-3-yl carbamate
CID 53318864
trans-(R)-1-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)piperidin-3-ol
CID 53322820
US10233152, Example 124
CID 129279746
Piperidine, 2-(alpha-cyclohexylbenzyl)-3-methoxy-, hydrochloride
CID 209519
Piperidine, 2-(alpha-(2-(diethylamino)ethoxy)phenethyl)-, dihydrochloride
CID 3024472
Piperidine, 4-(alpha-(2-(diethylamino)ethoxy)phenethyl)-, dihydrochloride
CID 3024476
N-{[4-(3-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}piperidin-3-amine
CID 56720670
4-(4-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820598
4-(3-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820599
3-[(4-Fluorophenyl)methyl]morpholine
CID 82281886
(R)-3-(4-fluorobenzyl)morpholine
CID 95437547
2-(4-fluorobenzyl)-4-(tetrahydro-2H-pyran-4-yl)morpholine
CID 45200040

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The IUPAC name of 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine (CID 22318374) is 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine.
What is the SMILES notation for 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The canonical SMILES for 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine is NC1CCCOC1CN1CCCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The InChIKey is GVFXAULTMDJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c19-16-7-5-14(6-8-16)11-15-3-1-9-21(12-15)13-18-17(20)4-2-10-22-18/h5-8,15,17-18H,1-4,9-13,20H2.
What are the key properties of 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine has a molecular weight of 306.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine is sourced from PubChem (CID 22318374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).