(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate

C18H25NO3 — CID 97347777

IUPAC(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCN1CCC(C)(COC(=O)[C@@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C18H25NO3/c1-18(8-10-19(2)11-9-18)13-22-17(20)15-7-12-21-16-6-4-3-5-14(15)16/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
InChIKeyFVLVOKOXFJKKRC-OAHLLOKOSA-N
MW303.40 g/mol
LogP2.83
Rot. Bonds3

About (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate

(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate (PubChem CID 97347777) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate.

Molecular Properties

Compound Name(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate
PubChem CID97347777
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCN1CCC(C)(COC(=O)[C@@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C18H25NO3/c1-18(8-10-19(2)11-9-18)13-22-17(20)15-7-12-21-16-6-4-3-5-14(15)16/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
InChIKeyFVLVOKOXFJKKRC-OAHLLOKOSA-N
XLogP2.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
CID 104769267
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883
(3-methyl-1-benzofuran-2-yl)methyl 3,4-dihydro-2H-chromene-4-carboxylate
CID 86953795
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
CID 63710274
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate?
The IUPAC name of (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate (CID 97347777) is (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate.
What is the SMILES notation for (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate?
The canonical SMILES for (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate is CN1CCC(C)(COC(=O)[C@@H]2CCOc3ccccc32)CC1.
What is the InChIKey of (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate?
The InChIKey is FVLVOKOXFJKKRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(8-10-19(2)11-9-18)13-22-17(20)15-7-12-21-16-6-4-3-5-14(15)16/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate?
(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate is sourced from PubChem (CID 97347777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).