[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol

C15H23N3O2 — CID 97133925

IUPAC[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCOc1cnc(N2CCC[C@](CO)(CC3CC3)C2)nc1
InChIInChI=1S/C15H23N3O2/c1-20-13-8-16-14(17-9-13)18-6-2-5-15(10-18,11-19)7-12-3-4-12/h8-9,12,19H,2-7,10-11H2,1H3/t15-/m0/s1
InChIKeyPRAZTAIMTQFROH-HNNXBMFYSA-N
MW277.37 g/mol
LogP1.86
Rot. Bonds5

About [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol

[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol (PubChem CID 97133925) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
PubChem CID97133925
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCOc1cnc(N2CCC[C@](CO)(CC3CC3)C2)nc1
InChIInChI=1S/C15H23N3O2/c1-20-13-8-16-14(17-9-13)18-6-2-5-15(10-18,11-19)7-12-3-4-12/h8-9,12,19H,2-7,10-11H2,1H3/t15-/m0/s1
InChIKeyPRAZTAIMTQFROH-HNNXBMFYSA-N
XLogP1.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S*,5R*)-1-(5-methoxy-2-pyrimidinyl)-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72852730
[(3R*,5R*)-1-(5-methoxy-2-pyrimidinyl)-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72876925
(3-(Cyclopropylmethyl)-1-{[2-(4-morpholinyl)-5-pyrimidinyl]methyl}-3-piperidinyl)methanol
CID 72907270
(1R*,3S*)-3-(2-hydroxyethoxy)-7-(5-methoxy-2-pyrimidinyl)-7-azaspiro[3.5]nonan-1-ol
CID 72893235
2-((1S,2R)-2-(1-(5-methoxypyrimidin-2-yl)piperidin-4-yl)cyclopropyl)ethanol
CID 89581860
2-((1S,2R)-2-(1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl)cyclopropyl)ethanol
CID 89583906
2-[2-[1-(5-Methoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 123245174
2-[2-[1-(5-Ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 123310155
2-(4-Cyclopropylpiperidin-1-yl)-5-methoxypyrimidine
CID 123467451
Cyclopentyl-(5-methoxypyrimidin-2-yl)methanol
CID 169574362
1-[5-(3-Methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
CID 170050926
4-Methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
CID 170051033

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol (CID 97133925) is [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol is COc1cnc(N2CCC[C@](CO)(CC3CC3)C2)nc1.
What is the InChIKey of [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
The InChIKey is PRAZTAIMTQFROH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-8-16-14(17-9-13)18-6-2-5-15(10-18,11-19)7-12-3-4-12/h8-9,12,19H,2-7,10-11H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol has a molecular weight of 277.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97133925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).