1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine

C20H32N2O — CID 170863849

IUPAC1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
SMILESCCOc1ccc(CCCN2CCN(C)CC2)c2c1CCCC2
InChIInChI=1S/C20H32N2O/c1-3-23-20-11-10-17(18-8-4-5-9-19(18)20)7-6-12-22-15-13-21(2)14-16-22/h10-11H,3-9,12-16H2,1-2H3
InChIKeyJDQKEPZBTWDOGS-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.14
Rot. Bonds6

About 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine

1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine (PubChem CID 170863849) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
PubChem CID170863849
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
SMILESCCOc1ccc(CCCN2CCN(C)CC2)c2c1CCCC2
InChIInChI=1S/C20H32N2O/c1-3-23-20-11-10-17(18-8-4-5-9-19(18)20)7-6-12-22-15-13-21(2)14-16-22/h10-11H,3-9,12-16H2,1-2H3
InChIKeyJDQKEPZBTWDOGS-UHFFFAOYSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863796

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine (CID 170863849) is 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine is CCOc1ccc(CCCN2CCN(C)CC2)c2c1CCCC2.
What is the InChIKey of 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine?
The InChIKey is JDQKEPZBTWDOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-23-20-11-10-17(18-8-4-5-9-19(18)20)7-6-12-22-15-13-21(2)14-16-22/h10-11H,3-9,12-16H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine?
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine has a molecular weight of 316.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).