(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol

C19H28F2N2O — CID 53322820

IUPAC(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C19H28F2N2O/c20-15-5-8-18(21)14(10-15)11-19(22)13-3-6-16(7-4-13)23-9-1-2-17(24)12-23/h5,8,10,13,16-17,19,24H,1-4,6-7,9,11-12,22H2/t13?,16?,17-,19-/m1/s1
InChIKeyRMXOUPIDCOTMSF-BZBZEQRQSA-N
MW338.44 g/mol
LogP2.85
Rot. Bonds4

About (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol

(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol (PubChem CID 53322820) has the molecular formula C19H28F2N2O and a molecular weight of 338.44 g/mol. Its IUPAC name is (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol
PubChem CID53322820
Molecular FormulaC19H28F2N2O
Molecular Weight338.44 g/mol
Exact Mass338.22
IUPAC Name(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C19H28F2N2O/c20-15-5-8-18(21)14(10-15)11-19(22)13-3-6-16(7-4-13)23-9-1-2-17(24)12-23/h5,8,10,13,16-17,19,24H,1-4,6-7,9,11-12,22H2/t13?,16?,17-,19-/m1/s1
InChIKeyRMXOUPIDCOTMSF-BZBZEQRQSA-N
XLogP2.85
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol (CID 53322820) is (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol is N[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCC[C@@H](O)C2)CC1.
What is the InChIKey of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol?
The InChIKey is RMXOUPIDCOTMSF-BZBZEQRQSA-N. The full InChI is InChI=1S/C19H28F2N2O/c20-15-5-8-18(21)14(10-15)11-19(22)13-3-6-16(7-4-13)23-9-1-2-17(24)12-23/h5,8,10,13,16-17,19,24H,1-4,6-7,9,11-12,22H2/t13?,16?,17-,19-/m1/s1.
What are the key properties of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol?
(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol has a molecular weight of 338.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidin-3-ol is sourced from PubChem (CID 53322820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).