1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine

C21H33N3 — CID 82201859

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCCCN1C(CN1CCNCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H33N3/c1-17-5-2-3-12-24(17)21(16-23-13-10-22-11-14-23)20-9-8-18-6-4-7-19(18)15-20/h8-9,15,17,21-22H,2-7,10-14,16H2,1H3
InChIKeyDQCMKQWZZOYOOA-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.00
Rot. Bonds4

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

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine (PubChem CID 82201859) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine
PubChem CID82201859
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCCCN1C(CN1CCNCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H33N3/c1-17-5-2-3-12-24(17)21(16-23-13-10-22-11-14-23)20-9-8-18-6-4-7-19(18)15-20/h8-9,15,17,21-22H,2-7,10-14,16H2,1H3
InChIKeyDQCMKQWZZOYOOA-UHFFFAOYSA-N
XLogP3.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 82201857
1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 82201862
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
CID 82215293
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
3-[1-(2,3-dihydro-1H-inden-5-yl)propyl]pyrrolidine
CID 83911483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine (CID 82201859) is 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine is CC1CCCCN1C(CN1CCNCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is DQCMKQWZZOYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-17-5-2-3-12-24(17)21(16-23-13-10-22-11-14-23)20-9-8-18-6-4-7-19(18)15-20/h8-9,15,17,21-22H,2-7,10-14,16H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine?
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 327.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 82201859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).