2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol

C24H32ClN3O2 — CID 168679098

IUPAC2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C24H32ClN3O2/c1-24(2,29)22-16-28(21(17-30-22)15-18-6-8-19(25)9-7-18)20-10-13-27(14-11-20)23-5-3-4-12-26-23/h3-9,12,20-22,29H,10-11,13-17H2,1-2H3/t21-,22+/m0/s1
InChIKeyIGLNDKPAOCLCMC-FCHUYYIVSA-N
MW429.99 g/mol
LogP3.79
Rot. Bonds5

About 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol

2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol (PubChem CID 168679098) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol
PubChem CID168679098
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C24H32ClN3O2/c1-24(2,29)22-16-28(21(17-30-22)15-18-6-8-19(25)9-7-18)20-10-13-27(14-11-20)23-5-3-4-12-26-23/h3-9,12,20-22,29H,10-11,13-17H2,1-2H3/t21-,22+/m0/s1
InChIKeyIGLNDKPAOCLCMC-FCHUYYIVSA-N
XLogP3.79
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol (CID 168679098) is 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol is CC(C)(O)[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol?
The InChIKey is IGLNDKPAOCLCMC-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-24(2,29)22-16-28(21(17-30-22)15-18-6-8-19(25)9-7-18)20-10-13-27(14-11-20)23-5-3-4-12-26-23/h3-9,12,20-22,29H,10-11,13-17H2,1-2H3/t21-,22+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol?
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol has a molecular weight of 429.99 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholin-2-yl]propan-2-ol is sourced from PubChem (CID 168679098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).