4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine

C18H23N3O — CID 97200713

IUPAC4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCC[C@@H](OCc3ccccc3)C2)ncn1
InChIInChI=1S/C18H23N3O/c1-2-16-11-18(20-14-19-16)21-10-6-9-17(12-21)22-13-15-7-4-3-5-8-15/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeySRRNXOWPWUWLBR-QGZVFWFLSA-N
MW297.40 g/mol
LogP3.22
Rot. Bonds5

About 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine

4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine (PubChem CID 97200713) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
PubChem CID97200713
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCC[C@@H](OCc3ccccc3)C2)ncn1
InChIInChI=1S/C18H23N3O/c1-2-16-11-18(20-14-19-16)21-10-6-9-17(12-21)22-13-15-7-4-3-5-8-15/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeySRRNXOWPWUWLBR-QGZVFWFLSA-N
XLogP3.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
CID 72915583
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-(3-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806713
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
CID 93480995
4-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 95227792

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine (CID 97200713) is 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine is CCc1cc(N2CCC[C@@H](OCc3ccccc3)C2)ncn1.
What is the InChIKey of 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine?
The InChIKey is SRRNXOWPWUWLBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-16-11-18(20-14-19-16)21-10-6-9-17(12-21)22-13-15-7-4-3-5-8-15/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine?
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine has a molecular weight of 297.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine is sourced from PubChem (CID 97200713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).