1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol

C23H34FN3O2 — CID 69035571

IUPAC1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)CCCCC1
InChIInChI=1S/C23H34FN3O2/c24-21-12-17(4-5-22(21)27-8-10-29-11-9-27)25-13-18-19-14-26(15-20(18)19)16-23(28)6-2-1-3-7-23/h4-5,12,18-20,25,28H,1-3,6-11,13-16H2
InChIKeyGKEBUTCNGQSEHM-UHFFFAOYSA-N
MW403.54 g/mol
LogP2.95
Rot. Bonds6

About 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol

1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol (PubChem CID 69035571) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol
PubChem CID69035571
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)CCCCC1
InChIInChI=1S/C23H34FN3O2/c24-21-12-17(4-5-22(21)27-8-10-29-11-9-27)25-13-18-19-14-26(15-20(18)19)16-23(28)6-2-1-3-7-23/h4-5,12,18-20,25,28H,1-3,6-11,13-16H2
InChIKeyGKEBUTCNGQSEHM-UHFFFAOYSA-N
XLogP2.95
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
CID 69039024
3-fluoro-4-morpholin-4-yl-N-[[3-(thiophen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]aniline
CID 69039009
3-fluoro-N-[[3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 67307396
3-fluoro-4-morpholin-4-yl-N-[[3-[(3,4,5-trimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]aniline
CID 69037340
3-fluoro-4-morpholin-4-yl-N-(oxiran-2-ylmethyl)aniline
CID 123224004
3-fluoro-N-[[3-[(4-fluorophenyl)methylsulfonyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 69088627
(4-tert-butylcyclohexyl)-[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 69038632
thiophen-2-yl N-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[3-[(1-hydroxycyclohexyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 129158880
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
3-fluoro-N-[[3-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 69037810
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
CID 11709354
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-4-morpholin-4-ylaniline;1-methylpiperidine-4-carbaldehyde
CID 160755864

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol (CID 69035571) is 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol is OC1(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)CCCCC1.
What is the InChIKey of 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol?
The InChIKey is GKEBUTCNGQSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c24-21-12-17(4-5-22(21)27-8-10-29-11-9-27)25-13-18-19-14-26(15-20(18)19)16-23(28)6-2-1-3-7-23/h4-5,12,18-20,25,28H,1-3,6-11,13-16H2.
What are the key properties of 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol?
1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol has a molecular weight of 403.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 69035571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).