5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine

C14H23N3O — CID 131998372

IUPAC5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC([C@H](C)OC)CC2)nc1
InChIInChI=1S/C14H23N3O/c1-4-12-9-15-14(16-10-12)17-7-5-13(6-8-17)11(2)18-3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyHZSVKRUDWSTURC-NSHDSACASA-N
MW249.36 g/mol
LogP2.29
Rot. Bonds4

About 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine

5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine (PubChem CID 131998372) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
PubChem CID131998372
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC([C@H](C)OC)CC2)nc1
InChIInChI=1S/C14H23N3O/c1-4-12-9-15-14(16-10-12)17-7-5-13(6-8-17)11(2)18-3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyHZSVKRUDWSTURC-NSHDSACASA-N
XLogP2.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine (CID 131998372) is 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine is CCc1cnc(N2CCC([C@H](C)OC)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine?
The InChIKey is HZSVKRUDWSTURC-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12-9-15-14(16-10-12)17-7-5-13(6-8-17)11(2)18-3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine?
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 131998372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).