4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine

C15H23N3O — CID 124946485

IUPAC4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
SMILESc1cc([C@@H]2CCCN(CC3CCOCC3)C2)ncn1
InChIInChI=1S/C15H23N3O/c1-2-14(15-3-6-16-12-17-15)11-18(7-1)10-13-4-8-19-9-5-13/h3,6,12-14H,1-2,4-5,7-11H2/t14-/m1/s1
InChIKeyBYNVBAGQDWKFSX-CQSZACIVSA-N
MW261.37 g/mol
LogP2.08
Rot. Bonds3

About 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine

4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine (PubChem CID 124946485) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
PubChem CID124946485
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
SMILESc1cc([C@@H]2CCCN(CC3CCOCC3)C2)ncn1
InChIInChI=1S/C15H23N3O/c1-2-14(15-3-6-16-12-17-15)11-18(7-1)10-13-4-8-19-9-5-13/h3,6,12-14H,1-2,4-5,7-11H2/t14-/m1/s1
InChIKeyBYNVBAGQDWKFSX-CQSZACIVSA-N
XLogP2.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine (CID 124946485) is 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine is c1cc([C@@H]2CCCN(CC3CCOCC3)C2)ncn1.
What is the InChIKey of 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine?
The InChIKey is BYNVBAGQDWKFSX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-14(15-3-6-16-12-17-15)11-18(7-1)10-13-4-8-19-9-5-13/h3,6,12-14H,1-2,4-5,7-11H2/t14-/m1/s1.
What are the key properties of 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine?
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine is sourced from PubChem (CID 124946485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).