1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride

C15H24Cl2N2O — CID 67828788

IUPAC1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
SMILESCOc1cccc2c1CC(N1CCNCC1)CC2.Cl.Cl
InChIInChI=1S/C15H22N2O.2ClH/c1-18-15-4-2-3-12-5-6-13(11-14(12)15)17-9-7-16-8-10-17;;/h2-4,13,16H,5-11H2,1H3;2*1H
InChIKeySIWZMKVIPPNWST-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.30
Rot. Bonds2

About 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride

1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride (PubChem CID 67828788) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
PubChem CID67828788
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
SMILESCOc1cccc2c1CC(N1CCNCC1)CC2.Cl.Cl
InChIInChI=1S/C15H22N2O.2ClH/c1-18-15-4-2-3-12-5-6-13(11-14(12)15)17-9-7-16-8-10-17;;/h2-4,13,16H,5-11H2,1H3;2*1H
InChIKeySIWZMKVIPPNWST-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
(7R)-7-piperazin-1-yl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 59144793
1-(8-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 57265472
1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane
CID 15137215
1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 3596803
1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 84627868
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 141010316
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
1-(2,3-dihydro-1H-inden-2-yl)piperazine;dihydrochloride
CID 50944348
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 84626441

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride (CID 67828788) is 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride is COc1cccc2c1CC(N1CCNCC1)CC2.Cl.Cl.
What is the InChIKey of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride?
The InChIKey is SIWZMKVIPPNWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.2ClH/c1-18-15-4-2-3-12-5-6-13(11-14(12)15)17-9-7-16-8-10-17;;/h2-4,13,16H,5-11H2,1H3;2*1H.
What are the key properties of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride?
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride is sourced from PubChem (CID 67828788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).