[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C24H28FNO2 — CID 67697623

IUPAC[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2cccc3c2CCC3)CC1
InChIInChI=1S/C24H28FNO2/c25-21-10-8-19(9-11-21)24(27)20-12-15-26(16-13-20)14-3-17-28-23-7-2-5-18-4-1-6-22(18)23/h2,5,7-11,20H,1,3-4,6,12-17H2
InChIKeyPQNPXPKLXOJJPU-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.68
Rot. Bonds7

About [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 67697623) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID67697623
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Name[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2cccc3c2CCC3)CC1
InChIInChI=1S/C24H28FNO2/c25-21-10-8-19(9-11-21)24(27)20-12-15-26(16-13-20)14-3-17-28-23-7-2-5-18-4-1-6-22(18)23/h2,5,7-11,20H,1,3-4,6,12-17H2
InChIKeyPQNPXPKLXOJJPU-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 10521609
CID 10521609
CID 10873003
CID 10873003
CID 10521778
CID 10521778
CID 10593952
CID 10593952
CID 11220466
CID 11220466
CID 11301194
CID 11301194
CID 14553351
CID 14553351
CID 14968317
CID 14968317
CID 21552352
CID 21552352
CID 22273749
CID 22273749
CID 57392852
CID 57392852
CID 69744095
CID 69744095

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 67697623) is [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(CCCOc2cccc3c2CCC3)CC1.
What is the InChIKey of [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is PQNPXPKLXOJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO2/c25-21-10-8-19(9-11-21)24(27)20-12-15-26(16-13-20)14-3-17-28-23-7-2-5-18-4-1-6-22(18)23/h2,5,7-11,20H,1,3-4,6,12-17H2.
What are the key properties of [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 381.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67697623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).