4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine

C22H29N3O — CID 95123778

IUPAC4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
SMILESC[C@H](c1cccc(-c2ccc(CN3CCOCC3)cn2)c1)N1CCCC1
InChIInChI=1S/C22H29N3O/c1-18(25-9-2-3-10-25)20-5-4-6-21(15-20)22-8-7-19(16-23-22)17-24-11-13-26-14-12-24/h4-8,15-16,18H,2-3,9-14,17H2,1H3/t18-/m1/s1
InChIKeyOIAFEQUVAXVFJF-GOSISDBHSA-N
MW351.49 g/mol
LogP3.74
Rot. Bonds5

About 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine

4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine (PubChem CID 95123778) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
PubChem CID95123778
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
SMILESC[C@H](c1cccc(-c2ccc(CN3CCOCC3)cn2)c1)N1CCCC1
InChIInChI=1S/C22H29N3O/c1-18(25-9-2-3-10-25)20-5-4-6-21(15-20)22-8-7-19(16-23-22)17-24-11-13-26-14-12-24/h4-8,15-16,18H,2-3,9-14,17H2,1H3/t18-/m1/s1
InChIKeyOIAFEQUVAXVFJF-GOSISDBHSA-N
XLogP3.74
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine (CID 95123778) is 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine is C[C@H](c1cccc(-c2ccc(CN3CCOCC3)cn2)c1)N1CCCC1.
What is the InChIKey of 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
The InChIKey is OIAFEQUVAXVFJF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18(25-9-2-3-10-25)20-5-4-6-21(15-20)22-8-7-19(16-23-22)17-24-11-13-26-14-12-24/h4-8,15-16,18H,2-3,9-14,17H2,1H3/t18-/m1/s1.
What are the key properties of 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine has a molecular weight of 351.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 95123778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).