6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol

C14H19ClN2O — CID 84640322

IUPAC6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccc(Cl)cc2CCC1N1CCNCC1
InChIInChI=1S/C14H19ClN2O/c15-11-2-3-12-10(9-11)1-4-13(14(12)18)17-7-5-16-6-8-17/h2-3,9,13-14,16,18H,1,4-8H2
InChIKeySEZFZRBFIFTQID-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.59
Rot. Bonds1

About 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol

6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 84640322) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID84640322
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccc(Cl)cc2CCC1N1CCNCC1
InChIInChI=1S/C14H19ClN2O/c15-11-2-3-12-10(9-11)1-4-13(14(12)18)17-7-5-16-6-8-17/h2-3,9,13-14,16,18H,1,4-8H2
InChIKeySEZFZRBFIFTQID-UHFFFAOYSA-N
XLogP1.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 177205675
(1R,2R)-2-amino-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600882
[(1R,2S)-1-(carboxyamino)-6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 160888294
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
7-bromo-13-chloro-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene
CID 22621952
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 71242640
1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 67828813
2-piperazin-1-ylcyclobutan-1-ol
CID 165486406
(7-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperazin-1-ylmethanone
CID 82584658
2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
CID 102849461
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
CID 3055979
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 84640322) is 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccc(Cl)cc2CCC1N1CCNCC1.
What is the InChIKey of 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is SEZFZRBFIFTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-11-2-3-12-10(9-11)1-4-13(14(12)18)17-7-5-16-6-8-17/h2-3,9,13-14,16,18H,1,4-8H2.
What are the key properties of 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 266.77 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 84640322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).