1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol

C15H20ClNO2 — CID 114502371

IUPAC1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cc(Cl)cc3c2OCC3)CCC1O
InChIInChI=1S/C15H20ClNO2/c1-10-8-17(4-2-14(10)18)9-12-7-13(16)6-11-3-5-19-15(11)12/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyZMBKSHPKZAYOFX-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.48
Rot. Bonds2

About 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114502371) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114502371
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cc(Cl)cc3c2OCC3)CCC1O
InChIInChI=1S/C15H20ClNO2/c1-10-8-17(4-2-14(10)18)9-12-7-13(16)6-11-3-5-19-15(11)12/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyZMBKSHPKZAYOFX-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-ol
CID 113403630
(3R,4S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidine-3,4-diol
CID 113383744
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-(chloromethyl)piperidine
CID 113403675
4-[[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 75520123
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,3,3-trimethylbutan-2-ol
CID 113403469
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpiperidin-4-ol
CID 114681498
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)azepane
CID 116638621
N'-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110032466
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564668
2-(bromomethyl)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]azepane
CID 116638420
1-[(4-chloro-2-nitrophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502462
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908682

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol (CID 114502371) is 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2cc(Cl)cc3c2OCC3)CCC1O.
What is the InChIKey of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is ZMBKSHPKZAYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-8-17(4-2-14(10)18)9-12-7-13(16)6-11-3-5-19-15(11)12/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol?
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 281.78 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).