2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone

C16H20ClNO — CID 24881854

IUPAC2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CC1CCc2ccc(Cl)cc21)N1CCCCC1
InChIInChI=1S/C16H20ClNO/c17-14-7-6-12-4-5-13(15(12)11-14)10-16(19)18-8-2-1-3-9-18/h6-7,11,13H,1-5,8-10H2
InChIKeyKQJRPAPFIOTUDP-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.77
Rot. Bonds2

About 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone

2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone (PubChem CID 24881854) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
PubChem CID24881854
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CC1CCc2ccc(Cl)cc21)N1CCCCC1
InChIInChI=1S/C16H20ClNO/c17-14-7-6-12-4-5-13(15(12)11-14)10-16(19)18-8-2-1-3-9-18/h6-7,11,13H,1-5,8-10H2
InChIKeyKQJRPAPFIOTUDP-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone (CID 24881854) is 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone is O=C(CC1CCc2ccc(Cl)cc21)N1CCCCC1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is KQJRPAPFIOTUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-14-7-6-12-4-5-13(15(12)11-14)10-16(19)18-8-2-1-3-9-18/h6-7,11,13H,1-5,8-10H2.
What are the key properties of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone?
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 277.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 24881854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).