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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Related Compounds

4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
CID 74247167
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
3-cyclopropyl-5-[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95723612
3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole
CID 56898718
2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
1-[(6-chloro-3-pyridinyl)methyl]-4-(1-phenylethyl)piperazine
CID 59382116
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357

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).