(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine

C22H28ClN3O — CID 168678965

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
SMILESC[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C22H28ClN3O/c1-17-15-26(21(16-27-17)14-18-5-7-19(23)8-6-18)20-9-12-25(13-10-20)22-4-2-3-11-24-22/h2-8,11,17,20-21H,9-10,12-16H2,1H3/t17-,21-/m0/s1
InChIKeyFMLSZVIGTSUDKD-UWJYYQICSA-N
MW385.94 g/mol
LogP4.04
Rot. Bonds4

About (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine (PubChem CID 168678965) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
PubChem CID168678965
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
SMILESC[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C22H28ClN3O/c1-17-15-26(21(16-27-17)14-18-5-7-19(23)8-6-18)20-9-12-25(13-10-20)22-4-2-3-11-24-22/h2-8,11,17,20-21H,9-10,12-16H2,1H3/t17-,21-/m0/s1
InChIKeyFMLSZVIGTSUDKD-UWJYYQICSA-N
XLogP4.04
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine (CID 168678965) is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine is C[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
The InChIKey is FMLSZVIGTSUDKD-UWJYYQICSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-17-15-26(21(16-27-17)14-18-5-7-19(23)8-6-18)20-9-12-25(13-10-20)22-4-2-3-11-24-22/h2-8,11,17,20-21H,9-10,12-16H2,1H3/t17-,21-/m0/s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine has a molecular weight of 385.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 168678965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).