[(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol

C17H25FN4O2 — CID 97148212

IUPAC[(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H25FN4O2/c1-2-4-17(13-23)5-3-6-22(12-17)16-19-11-14(18)15(20-16)21-7-9-24-10-8-21/h2,11,23H,1,3-10,12-13H2/t17-/m1/s1
InChIKeyIFWQRYSIUQEVCX-QGZVFWFLSA-N
MW336.41 g/mol
LogP1.61
Rot. Bonds5

About [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol

[(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97148212) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97148212
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name[(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H25FN4O2/c1-2-4-17(13-23)5-3-6-22(12-17)16-19-11-14(18)15(20-16)21-7-9-24-10-8-21/h2,11,23H,1,3-10,12-13H2/t17-/m1/s1
InChIKeyIFWQRYSIUQEVCX-QGZVFWFLSA-N
XLogP1.61
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol with MolForge

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Related Compounds

{3-(3-Methylbut-2-en-1-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl}methanol
CID 70775264
[(3R*,5R*)-1-(5-isopropyl-2-pyrimidinyl)-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72900659
(3-(Cyclopropylmethyl)-1-{[2-(4-morpholinyl)-5-pyrimidinyl]methyl}-3-piperidinyl)methanol
CID 72907270
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
[4-[[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 50981741
(3R*,4R*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-(hydroxymethyl)-3-piperidinol
CID 56894609
[3-Allyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 70774214
{(3S*,5R*)-5-[(dimethylamino)methyl]-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3-piperidinyl}methanol
CID 72849221
3-Ethyl-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid
CID 72864999
7-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.5]decane
CID 72892272
3-[(3R*,4S*)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
CID 72907730
(3S)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120951

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 97148212) is [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@@]1(CO)CCCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is IFWQRYSIUQEVCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-2-4-17(13-23)5-3-6-22(12-17)16-19-11-14(18)15(20-16)21-7-9-24-10-8-21/h2,11,23H,1,3-10,12-13H2/t17-/m1/s1.
What are the key properties of [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
[(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 336.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97148212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).