1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C16H23ClN2O — CID 117475508

IUPAC1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(CCN2CCNCC2)cc2c(c1Cl)CCCC2
InChIInChI=1S/C16H23ClN2O/c17-15-14-4-2-1-3-12(14)11-13(16(15)20)5-8-19-9-6-18-7-10-19/h11,18,20H,1-10H2
InChIKeyAJVBSIWYDFBZPT-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.37
Rot. Bonds3

About 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117475508) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117475508
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(CCN2CCNCC2)cc2c(c1Cl)CCCC2
InChIInChI=1S/C16H23ClN2O/c17-15-14-4-2-1-3-12(14)11-13(16(15)20)5-8-19-9-6-18-7-10-19/h11,18,20H,1-10H2
InChIKeyAJVBSIWYDFBZPT-UHFFFAOYSA-N
XLogP2.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol
CID 117368753
4-chloro-2-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474188
2-(4-aminobutyl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423324
1-[2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]piperazine
CID 117493733
4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 117382930
2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
CID 115006371
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
CID 117406196
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperazine
CID 117475519

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117475508) is 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1c(CCN2CCNCC2)cc2c(c1Cl)CCCC2.
What is the InChIKey of 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AJVBSIWYDFBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-15-14-4-2-1-3-12(14)11-13(16(15)20)5-8-19-9-6-18-7-10-19/h11,18,20H,1-10H2.
What are the key properties of 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 294.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117475508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).