[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol

C20H21N3O — CID 25217111

IUPAC[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H21N3O/c24-14-15-4-3-11-23(13-15)20-21-10-9-19(22-20)18-8-7-16-5-1-2-6-17(16)12-18/h1-2,5-10,12,15,24H,3-4,11,13-14H2/t15-/m0/s1
InChIKeyZEFHAUCHMRFLMY-HNNXBMFYSA-N
MW319.41 g/mol
LogP3.51
Rot. Bonds3

About [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol

[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol (PubChem CID 25217111) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
PubChem CID25217111
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H21N3O/c24-14-15-4-3-11-23(13-15)20-21-10-9-19(22-20)18-8-7-16-5-1-2-6-17(16)12-18/h1-2,5-10,12,15,24H,3-4,11,13-14H2/t15-/m0/s1
InChIKeyZEFHAUCHMRFLMY-HNNXBMFYSA-N
XLogP3.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727587
[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727972
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine
CID 91535562
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
CID 69077782
[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate
CID 87560832

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol (CID 25217111) is [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol is OC[C@H]1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol?
The InChIKey is ZEFHAUCHMRFLMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-14-15-4-3-11-23(13-15)20-21-10-9-19(22-20)18-8-7-16-5-1-2-6-17(16)12-18/h1-2,5-10,12,15,24H,3-4,11,13-14H2/t15-/m0/s1.
What are the key properties of [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol?
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol has a molecular weight of 319.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 25217111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).