4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine

C19H25N3O3 — CID 97422780

IUPAC4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
SMILESCOc1ccc(C[C@H]2CN(c3cc(OC)ncn3)CC[C@@H]2OC)cc1
InChIInChI=1S/C19H25N3O3/c1-23-16-6-4-14(5-7-16)10-15-12-22(9-8-17(15)24-2)18-11-19(25-3)21-13-20-18/h4-7,11,13,15,17H,8-10,12H2,1-3H3/t15-,17-/m0/s1
InChIKeyKSZLFSQFXMNEAT-RDJZCZTQSA-N
MW343.43 g/mol
LogP2.58
Rot. Bonds6

About 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine

4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 97422780) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
PubChem CID97422780
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
SMILESCOc1ccc(C[C@H]2CN(c3cc(OC)ncn3)CC[C@@H]2OC)cc1
InChIInChI=1S/C19H25N3O3/c1-23-16-6-4-14(5-7-16)10-15-12-22(9-8-17(15)24-2)18-11-19(25-3)21-13-20-18/h4-7,11,13,15,17H,8-10,12H2,1-3H3/t15-,17-/m0/s1
InChIKeyKSZLFSQFXMNEAT-RDJZCZTQSA-N
XLogP2.58
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine (CID 97422780) is 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine is COc1ccc(C[C@H]2CN(c3cc(OC)ncn3)CC[C@@H]2OC)cc1.
What is the InChIKey of 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is KSZLFSQFXMNEAT-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-23-16-6-4-14(5-7-16)10-15-12-22(9-8-17(15)24-2)18-11-19(25-3)21-13-20-18/h4-7,11,13,15,17H,8-10,12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine?
4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 343.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97422780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).