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

C23H31N3O — CID 99944502

IUPAC4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
SMILESC[C@H](c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1)N1CCCCC1
InChIInChI=1S/C23H31N3O/c1-19(26-11-3-2-4-12-26)21-6-8-22(9-7-21)23-10-5-20(17-24-23)18-25-13-15-27-16-14-25/h5-10,17,19H,2-4,11-16,18H2,1H3/t19-/m1/s1
InChIKeyPFIIMDQLIDYCNA-LJQANCHMSA-N
MW365.52 g/mol
LogP4.13
Rot. Bonds5

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

4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine (PubChem CID 99944502) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
PubChem CID99944502
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
SMILESC[C@H](c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1)N1CCCCC1
InChIInChI=1S/C23H31N3O/c1-19(26-11-3-2-4-12-26)21-6-8-22(9-7-21)23-10-5-20(17-24-23)18-25-13-15-27-16-14-25/h5-10,17,19H,2-4,11-16,18H2,1H3/t19-/m1/s1
InChIKeyPFIIMDQLIDYCNA-LJQANCHMSA-N
XLogP4.13
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 95123778
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
CID 50977546
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77093885
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile
CID 74238216
4-[(1R)-1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)phenyl]ethyl]morpholine
CID 126445943
1-[(6-chloro-3-pyridinyl)methyl]-4-(1-phenylethyl)piperazine
CID 59382116
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine (CID 99944502) is 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine is C[C@H](c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1)N1CCCCC1.
What is the InChIKey of 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
The InChIKey is PFIIMDQLIDYCNA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19(26-11-3-2-4-12-26)21-6-8-22(9-7-21)23-10-5-20(17-24-23)18-25-13-15-27-16-14-25/h5-10,17,19H,2-4,11-16,18H2,1H3/t19-/m1/s1.
What are the key properties of 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine?
4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine has a molecular weight of 365.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 99944502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).