(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C21H27N3O3 — CID 99932443

IUPAC(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc2c(c1)C=C(CN1CCC([C@@H](O)c3nccn3C)CC1)CO2
InChIInChI=1S/C21H27N3O3/c1-23-10-7-22-21(23)20(25)16-5-8-24(9-6-16)13-15-11-17-12-18(26-2)3-4-19(17)27-14-15/h3-4,7,10-12,16,20,25H,5-6,8-9,13-14H2,1-2H3/t20-/m1/s1
InChIKeyZWGWGBYCRMINBS-HXUWFJFHSA-N
MW369.47 g/mol
LogP2.65
Rot. Bonds5

About (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 99932443) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID99932443
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc2c(c1)C=C(CN1CCC([C@@H](O)c3nccn3C)CC1)CO2
InChIInChI=1S/C21H27N3O3/c1-23-10-7-22-21(23)20(25)16-5-8-24(9-6-16)13-15-11-17-12-18(26-2)3-4-19(17)27-14-15/h3-4,7,10-12,16,20,25H,5-6,8-9,13-14H2,1-2H3/t20-/m1/s1
InChIKeyZWGWGBYCRMINBS-HXUWFJFHSA-N
XLogP2.65
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
5-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 99933001
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 97142415
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
N-[(R)-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551899
1-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 99699881
3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
CID 50980464
2-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98677545

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 99932443) is (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is COc1ccc2c(c1)C=C(CN1CCC([C@@H](O)c3nccn3C)CC1)CO2.
What is the InChIKey of (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is ZWGWGBYCRMINBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23-10-7-22-21(23)20(25)16-5-8-24(9-6-16)13-15-11-17-12-18(26-2)3-4-19(17)27-14-15/h3-4,7,10-12,16,20,25H,5-6,8-9,13-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 369.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 99932443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).