4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine

C15H22BrN3O — CID 99855918

IUPAC4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
SMILESBrc1ccnc(N2CCC[C@@H](CN3CCOCC3)C2)c1
InChIInChI=1S/C15H22BrN3O/c16-14-3-4-17-15(10-14)19-5-1-2-13(12-19)11-18-6-8-20-9-7-18/h3-4,10,13H,1-2,5-9,11-12H2/t13-/m0/s1
InChIKeyDFMBNDAPCXGMAS-ZDUSSCGKSA-N
MW340.27 g/mol
LogP2.39
Rot. Bonds3

About 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine

4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine (PubChem CID 99855918) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
PubChem CID99855918
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
SMILESBrc1ccnc(N2CCC[C@@H](CN3CCOCC3)C2)c1
InChIInChI=1S/C15H22BrN3O/c16-14-3-4-17-15(10-14)19-5-1-2-13(12-19)11-18-6-8-20-9-7-18/h3-4,10,13H,1-2,5-9,11-12H2/t13-/m0/s1
InChIKeyDFMBNDAPCXGMAS-ZDUSSCGKSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
4-[[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322304
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
3-(4-bromo-2-pyridinyl)-1,3-oxazinane
CID 146474477
4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide
CID 133441512
4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322391
methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133322299
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine (CID 99855918) is 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine is Brc1ccnc(N2CCC[C@@H](CN3CCOCC3)C2)c1.
What is the InChIKey of 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine?
The InChIKey is DFMBNDAPCXGMAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22BrN3O/c16-14-3-4-17-15(10-14)19-5-1-2-13(12-19)11-18-6-8-20-9-7-18/h3-4,10,13H,1-2,5-9,11-12H2/t13-/m0/s1.
What are the key properties of 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine?
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine has a molecular weight of 340.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 99855918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).