4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol

C18H29N3O3 — CID 125013514

IUPAC4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol
SMILESCNc1cc(CC[C@H]2CN(CC3(O)CCOCC3)CCO2)ccn1
InChIInChI=1S/C18H29N3O3/c1-19-17-12-15(4-7-20-17)2-3-16-13-21(8-11-24-16)14-18(22)5-9-23-10-6-18/h4,7,12,16,22H,2-3,5-6,8-11,13-14H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyWFUBPJJASGJLGG-INIZCTEOSA-N
MW335.45 g/mol
LogP1.30
Rot. Bonds6

About 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol

4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol (PubChem CID 125013514) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol
PubChem CID125013514
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol
SMILESCNc1cc(CC[C@H]2CN(CC3(O)CCOCC3)CCO2)ccn1
InChIInChI=1S/C18H29N3O3/c1-19-17-12-15(4-7-20-17)2-3-16-13-21(8-11-24-16)14-18(22)5-9-23-10-6-18/h4,7,12,16,22H,2-3,5-6,8-11,13-14H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyWFUBPJJASGJLGG-INIZCTEOSA-N
XLogP1.30
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113986
N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110094509
[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113989
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol
CID 155983206
2-[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-N,N-dimethylacetamide
CID 124957231
N,N-dimethyl-4-[2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110114008
[4-[(2-hydrazinyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81213030
N,N-dimethyl-4-[2-[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124997675
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
N-chloro-4-(morpholin-4-ylmethyl)pyridin-2-amine
CID 87380885

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol (CID 125013514) is 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol is CNc1cc(CC[C@H]2CN(CC3(O)CCOCC3)CCO2)ccn1.
What is the InChIKey of 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol?
The InChIKey is WFUBPJJASGJLGG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-19-17-12-15(4-7-20-17)2-3-16-13-21(8-11-24-16)14-18(22)5-9-23-10-6-18/h4,7,12,16,22H,2-3,5-6,8-11,13-14H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol?
4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol has a molecular weight of 335.45 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol is sourced from PubChem (CID 125013514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).