4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine

C20H25N3O2 — CID 72849919

IUPAC4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
SMILESCOc1ccc2c(c1)OCC(Cc1cc(N3CCCCC3)ncn1)C2
InChIInChI=1S/C20H25N3O2/c1-24-18-6-5-16-9-15(13-25-19(16)12-18)10-17-11-20(22-14-21-17)23-7-3-2-4-8-23/h5-6,11-12,14-15H,2-4,7-10,13H2,1H3
InChIKeyPZNAULSSNPZTQA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.27
Rot. Bonds4

About 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine

4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine (PubChem CID 72849919) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
PubChem CID72849919
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
SMILESCOc1ccc2c(c1)OCC(Cc1cc(N3CCCCC3)ncn1)C2
InChIInChI=1S/C20H25N3O2/c1-24-18-6-5-16-9-15(13-25-19(16)12-18)10-17-11-20(22-14-21-17)23-7-3-2-4-8-23/h5-6,11-12,14-15H,2-4,7-10,13H2,1H3
InChIKeyPZNAULSSNPZTQA-UHFFFAOYSA-N
XLogP3.27
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-piperidin-1-ylpyrimidine
CID 97270402
4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
CID 72910039
2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
CID 72849732
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
CID 97131874
6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116123
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
CID 97130017
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinazolin-4-amine
CID 72904160

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine (CID 72849919) is 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine is COc1ccc2c(c1)OCC(Cc1cc(N3CCCCC3)ncn1)C2.
What is the InChIKey of 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine?
The InChIKey is PZNAULSSNPZTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-18-6-5-16-9-15(13-25-19(16)12-18)10-17-11-20(22-14-21-17)23-7-3-2-4-8-23/h5-6,11-12,14-15H,2-4,7-10,13H2,1H3.
What are the key properties of 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine?
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine has a molecular weight of 339.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 72849919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).