[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone

C17H22ClNO — CID 106894184

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCCC1CCCl
InChIInChI=1S/C17H22ClNO/c18-9-8-16-7-3-4-10-19(16)17(20)15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15-16H,3-4,7-12H2
InChIKeyNTFXUWYCSAMMNU-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.41
Rot. Bonds3

About [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone

[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106894184) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106894184
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCCC1CCCl
InChIInChI=1S/C17H22ClNO/c18-9-8-16-7-3-4-10-19(16)17(20)15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15-16H,3-4,7-12H2
InChIKeyNTFXUWYCSAMMNU-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 63591261
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 66394444
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347
3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421216

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106894184) is [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone is O=C(C1Cc2ccccc2C1)N1CCCCC1CCCl.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is NTFXUWYCSAMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-9-8-16-7-3-4-10-19(16)17(20)15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15-16H,3-4,7-12H2.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 291.82 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106894184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).