2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline

C19H30FN3O — CID 156796864

IUPAC2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline
SMILESCC1CN(C(C)C2CCN(c3c(N)cccc3F)CC2)CC(C)O1
InChIInChI=1S/C19H30FN3O/c1-13-11-23(12-14(2)24-13)15(3)16-7-9-22(10-8-16)19-17(20)5-4-6-18(19)21/h4-6,13-16H,7-12,21H2,1-3H3
InChIKeyNXIIYXAYEAIWSX-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.12
Rot. Bonds3

About 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline

2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline (PubChem CID 156796864) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline
PubChem CID156796864
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline
SMILESCC1CN(C(C)C2CCN(c3c(N)cccc3F)CC2)CC(C)O1
InChIInChI=1S/C19H30FN3O/c1-13-11-23(12-14(2)24-13)15(3)16-7-9-22(10-8-16)19-17(20)5-4-6-18(19)21/h4-6,13-16H,7-12,21H2,1-3H3
InChIKeyNXIIYXAYEAIWSX-UHFFFAOYSA-N
XLogP3.12
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Morpholinoaniline
CID 735756
5-Fluoro-2-(morpholin-4-yl)aniline
CID 6485404
2-(Morpholin-4-yl)aniline dihydrochloride
CID 75481890
2-fluoro-N-(2-(morpholin-4-yl)ethyl)aniline
CID 28581820
4-Fluoro-2-(morpholin-4-yl)aniline hydrochloride
CID 66524474
4-(2-Morpholinophenyl)morpholine
CID 13479496
4-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]morpholine
CID 1439434
1'-(3,4-Difluorophenyl)-3-propoxy-1,4'-bipiperidine
CID 45931003
N-(4-fluorophenyl)-2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]acetamide
CID 53606318
(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
CID 95551496
(2S)-1-[4-(2-fluoroanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 97080105
9-(2-Fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97409218

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline?
The IUPAC name of 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline (CID 156796864) is 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline.
What is the SMILES notation for 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline?
The canonical SMILES for 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline is CC1CN(C(C)C2CCN(c3c(N)cccc3F)CC2)CC(C)O1.
What is the InChIKey of 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline?
The InChIKey is NXIIYXAYEAIWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-13-11-23(12-14(2)24-13)15(3)16-7-9-22(10-8-16)19-17(20)5-4-6-18(19)21/h4-6,13-16H,7-12,21H2,1-3H3.
What are the key properties of 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline?
2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline has a molecular weight of 335.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-fluoroaniline is sourced from PubChem (CID 156796864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).