(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol

C15H22F2N2O2 — CID 46960615

IUPAC(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
SMILESCOCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O
InChIInChI=1S/C15H22F2N2O2/c1-21-7-5-18-14-4-6-19(10-15(14)20)9-11-2-3-12(16)13(17)8-11/h2-3,8,14-15,18,20H,4-7,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyAOCRKPSVXJRLTN-HUUCEWRRSA-N
MW300.35 g/mol
LogP1.14
Rot. Bonds6

About (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol

(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol (PubChem CID 46960615) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
PubChem CID46960615
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
SMILESCOCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O
InChIInChI=1S/C15H22F2N2O2/c1-21-7-5-18-14-4-6-19(10-15(14)20)9-11-2-3-12(16)13(17)8-11/h2-3,8,14-15,18,20H,4-7,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyAOCRKPSVXJRLTN-HUUCEWRRSA-N
XLogP1.14
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118762309
(3R,4R)-1-[(4-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol
CID 46953227
(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride
CID 175654410
(3R,4R)-1-[(3-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol;dihydrochloride
CID 175654370
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide
CID 164633017
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62593610
1-[(3,4-difluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918627
(3R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785716
(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 92568648

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol (CID 46960615) is (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol is COCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol?
The InChIKey is AOCRKPSVXJRLTN-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-21-7-5-18-14-4-6-19(10-15(14)20)9-11-2-3-12(16)13(17)8-11/h2-3,8,14-15,18,20H,4-7,9-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol?
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol has a molecular weight of 300.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol is sourced from PubChem (CID 46960615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).