1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine

C17H25ClN2 — CID 82215291

IUPAC1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CC(Cl)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H25ClN2/c1-2-19-8-10-20(11-9-19)13-17(18)16-7-6-14-4-3-5-15(14)12-16/h6-7,12,17H,2-5,8-11,13H2,1H3
InChIKeyPADDANIWCDLZGM-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine

1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine (PubChem CID 82215291) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
PubChem CID82215291
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CC(Cl)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H25ClN2/c1-2-19-8-10-20(11-9-19)13-17(18)16-7-6-14-4-3-5-15(14)12-16/h6-7,12,17H,2-5,8-11,13H2,1H3
InChIKeyPADDANIWCDLZGM-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
CID 82215293
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039133
N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine
CID 82215306
1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 82201862
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
CID 61085662
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 103165564
6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63430990
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine (CID 82215291) is 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine is CCN1CCN(CC(Cl)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine?
The InChIKey is PADDANIWCDLZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-19-8-10-20(11-9-19)13-17(18)16-7-6-14-4-3-5-15(14)12-16/h6-7,12,17H,2-5,8-11,13H2,1H3.
What are the key properties of 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine?
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine has a molecular weight of 292.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine is sourced from PubChem (CID 82215291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).