1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol

C19H25N3O2 — CID 118722993

IUPAC1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol
SMILESCc1cc(OCCCN2CCC(O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14,17,23H,5,8-13H2,1H3
InChIKeyLHYWXVCFLPHBKH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.68
Rot. Bonds6

About 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol

1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol (PubChem CID 118722993) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol
PubChem CID118722993
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol
SMILESCc1cc(OCCCN2CCC(O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14,17,23H,5,8-13H2,1H3
InChIKeyLHYWXVCFLPHBKH-UHFFFAOYSA-N
XLogP2.68
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol?
The IUPAC name of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol (CID 118722993) is 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol is Cc1cc(OCCCN2CCC(O)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol?
The InChIKey is LHYWXVCFLPHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14,17,23H,5,8-13H2,1H3.
What are the key properties of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol?
1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol has a molecular weight of 327.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol is sourced from PubChem (CID 118722993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).