1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C26H35F2N3O4 — CID 169190639

IUPAC1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.OC1(NC2CCCCC2)CCC(F)(F)CC1
InChIInChI=1S/C14H14N2O3.C12H21F2NO/c1-8-2-3-10-9(6-8)7-16(14(10)19)11-4-5-12(17)15-13(11)18;13-11(14)6-8-12(16,9-7-11)15-10-4-2-1-3-5-10/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);10,15-16H,1-9H2
InChIKeyAXKUHSGYIRGUFW-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.56
Rot. Bonds3

About 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 169190639) has the molecular formula C26H35F2N3O4 and a molecular weight of 491.58 g/mol. Its IUPAC name is 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID169190639
Molecular FormulaC26H35F2N3O4
Molecular Weight491.58 g/mol
Exact Mass491.26
IUPAC Name1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.OC1(NC2CCCCC2)CCC(F)(F)CC1
InChIInChI=1S/C14H14N2O3.C12H21F2NO/c1-8-2-3-10-9(6-8)7-16(14(10)19)11-4-5-12(17)15-13(11)18;13-11(14)6-8-12(16,9-7-11)15-10-4-2-1-3-5-10/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);10,15-16H,1-9H2
InChIKeyAXKUHSGYIRGUFW-UHFFFAOYSA-N
XLogP3.56
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

CID 169190903
CID 169190903
N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190956
N-cyclohexyl-1-oxothian-4-amine;ethane;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190900
ethane;N-[(1-methylcyclopropyl)methyl]cyclohexanamine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190823
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-(cyclohexylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 161477163
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid
CID 153392033
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938673
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 169190639) is 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.OC1(NC2CCCCC2)CCC(F)(F)CC1.
What is the InChIKey of 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is AXKUHSGYIRGUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C12H21F2NO/c1-8-2-3-10-9(6-8)7-16(14(10)19)11-4-5-12(17)15-13(11)18;13-11(14)6-8-12(16,9-7-11)15-10-4-2-1-3-5-10/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);10,15-16H,1-9H2.
What are the key properties of 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 491.58 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 169190639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).