4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine

C19H23N3O — CID 72915328

IUPAC4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
SMILESCOC1(c2ccccc2)CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C19H23N3O/c1-23-19(16-5-3-2-4-6-16)9-11-22(12-10-19)18-13-17(15-7-8-15)20-14-21-18/h2-6,13-15H,7-12H2,1H3
InChIKeyLNVVRNDPZOQOST-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.50
Rot. Bonds4

About 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine

4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine (PubChem CID 72915328) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
PubChem CID72915328
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine
SMILESCOC1(c2ccccc2)CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C19H23N3O/c1-23-19(16-5-3-2-4-6-16)9-11-22(12-10-19)18-13-17(15-7-8-15)20-14-21-18/h2-6,13-15H,7-12H2,1H3
InChIKeyLNVVRNDPZOQOST-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine (CID 72915328) is 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine is COC1(c2ccccc2)CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
The InChIKey is LNVVRNDPZOQOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-23-19(16-5-3-2-4-6-16)9-11-22(12-10-19)18-13-17(15-7-8-15)20-14-21-18/h2-6,13-15H,7-12H2,1H3.
What are the key properties of 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine?
4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine has a molecular weight of 309.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 72915328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).