2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol

C14H23N3O — CID 110089825

IUPAC2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cc(C)nc(CC2CCCN(CCO)C2)n1
InChIInChI=1S/C14H23N3O/c1-11-8-12(2)16-14(15-11)9-13-4-3-5-17(10-13)6-7-18/h8,13,18H,3-7,9-10H2,1-2H3
InChIKeyKSXDFHXVIKOTOI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.34
Rot. Bonds4

About 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol

2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 110089825) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol
PubChem CID110089825
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cc(C)nc(CC2CCCN(CCO)C2)n1
InChIInChI=1S/C14H23N3O/c1-11-8-12(2)16-14(15-11)9-13-4-3-5-17(10-13)6-7-18/h8,13,18H,3-7,9-10H2,1-2H3
InChIKeyKSXDFHXVIKOTOI-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
CID 73440134
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 146132286
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
CID 124942486
4-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]benzene-1,3-diol
CID 123856726
2-[4-(4-amino-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanol
CID 71113006
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
3-[(4,6-dimethylpyrimidin-2-yl)methyl]thiane 1,1-dioxide
CID 70709762

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol (CID 110089825) is 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol is Cc1cc(C)nc(CC2CCCN(CCO)C2)n1.
What is the InChIKey of 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is KSXDFHXVIKOTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-8-12(2)16-14(15-11)9-13-4-3-5-17(10-13)6-7-18/h8,13,18H,3-7,9-10H2,1-2H3.
What are the key properties of 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol?
2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110089825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).