1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol

C23H28ClNO2 — CID 138616635

IUPAC1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol
SMILESOC1CCN(CCCOc2cccc(-c3cccc4c3CCC4)c2Cl)CC1
InChIInChI=1S/C23H28ClNO2/c24-23-21(20-8-2-6-17-5-1-7-19(17)20)9-3-10-22(23)27-16-4-13-25-14-11-18(26)12-15-25/h2-3,6,8-10,18,26H,1,4-5,7,11-16H2
InChIKeyYMXFHXMQBWJSRT-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.72
Rot. Bonds6

About 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol

1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol (PubChem CID 138616635) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol
PubChem CID138616635
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Name1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol
SMILESOC1CCN(CCCOc2cccc(-c3cccc4c3CCC4)c2Cl)CC1
InChIInChI=1S/C23H28ClNO2/c24-23-21(20-8-2-6-17-5-1-7-19(17)20)9-3-10-22(23)27-16-4-13-25-14-11-18(26)12-15-25/h2-3,6,8-10,18,26H,1,4-5,7,11-16H2
InChIKeyYMXFHXMQBWJSRT-UHFFFAOYSA-N
XLogP4.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol (CID 138616635) is 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol is OC1CCN(CCCOc2cccc(-c3cccc4c3CCC4)c2Cl)CC1.
What is the InChIKey of 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol?
The InChIKey is YMXFHXMQBWJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO2/c24-23-21(20-8-2-6-17-5-1-7-19(17)20)9-3-10-22(23)27-16-4-13-25-14-11-18(26)12-15-25/h2-3,6,8-10,18,26H,1,4-5,7,11-16H2.
What are the key properties of 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol?
1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol has a molecular weight of 385.94 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 138616635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).