(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol

C16H26N4O2 — CID 97146942

IUPAC(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
SMILESCC1(C)CN(c2ncccn2)CC[C@@]1(O)CN1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-15(2)12-20(14-17-5-3-6-18-14)7-4-16(15,21)13-19-8-10-22-11-9-19/h3,5-6,21H,4,7-13H2,1-2H3/t16-/m1/s1
InChIKeyUWDIJFMWTQEDQT-MRXNPFEDSA-N
MW306.41 g/mol
LogP0.78
Rot. Bonds3

About (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol

(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol (PubChem CID 97146942) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
PubChem CID97146942
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
SMILESCC1(C)CN(c2ncccn2)CC[C@@]1(O)CN1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-15(2)12-20(14-17-5-3-6-18-14)7-4-16(15,21)13-19-8-10-22-11-9-19/h3,5-6,21H,4,7-13H2,1-2H3/t16-/m1/s1
InChIKeyUWDIJFMWTQEDQT-MRXNPFEDSA-N
XLogP0.78
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 97128489
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 97110053
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 72845510
1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 72868378
(4R)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 97125091
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 124996794
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 97132110
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72840804
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
morpholin-4-yl-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97449674
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol?
The IUPAC name of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol (CID 97146942) is (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol.
What is the SMILES notation for (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol?
The canonical SMILES for (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol is CC1(C)CN(c2ncccn2)CC[C@@]1(O)CN1CCOCC1.
What is the InChIKey of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol?
The InChIKey is UWDIJFMWTQEDQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2)12-20(14-17-5-3-6-18-14)7-4-16(15,21)13-19-8-10-22-11-9-19/h3,5-6,21H,4,7-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol?
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol has a molecular weight of 306.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol is sourced from PubChem (CID 97146942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).