1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine

C17H24ClN — CID 82215293

IUPAC1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
SMILESCC1CCCCN1CC(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24ClN/c1-13-5-2-3-10-19(13)12-17(18)16-9-8-14-6-4-7-15(14)11-16/h8-9,11,13,17H,2-7,10,12H2,1H3
InChIKeySQDYYWSICDPGEN-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.33
Rot. Bonds3

About 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine

1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine (PubChem CID 82215293) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
PubChem CID82215293
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
SMILESCC1CCCCN1CC(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24ClN/c1-13-5-2-3-10-19(13)12-17(18)16-9-8-14-6-4-7-15(14)11-16/h8-9,11,13,17H,2-7,10,12H2,1H3
InChIKeySQDYYWSICDPGEN-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.33
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

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine
CID 82215703
1-[2-(4-tert-butylphenyl)-2-chloroethyl]-2-methylpiperidine
CID 82214703
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798587
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine
CID 82201859
2-[(2R)-2-methylpiperidin-1-yl]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone
CID 8623032
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
2-(2-methylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 108511212
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431178

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine?
The IUPAC name of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine (CID 82215293) is 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine.
What is the SMILES notation for 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine?
The canonical SMILES for 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine is CC1CCCCN1CC(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine?
The InChIKey is SQDYYWSICDPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-13-5-2-3-10-19(13)12-17(18)16-9-8-14-6-4-7-15(14)11-16/h8-9,11,13,17H,2-7,10,12H2,1H3.
What are the key properties of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine?
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine has a molecular weight of 277.84 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine is sourced from PubChem (CID 82215293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).