(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine

C32H40N2O4 — CID 23647868

IUPAC(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine
SMILESCOc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C32H40N2O4/c1-35-32-10-5-4-9-27(32)23-36-19-6-20-37-30-15-12-28(13-16-30)34-18-17-33-22-29(34)24-38-31-14-11-25-7-2-3-8-26(25)21-31/h4-5,9-16,21,29,33H,2-3,6-8,17-20,22-24H2,1H3/t29-/m1/s1
InChIKeyUMWUHBWCBWENIX-GDLZYMKVSA-N
MW516.68 g/mol
LogP5.42
Rot. Bonds12

About (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine

(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine (PubChem CID 23647868) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine.

Molecular Properties

Compound Name(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine
PubChem CID23647868
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC Name(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine
SMILESCOc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C32H40N2O4/c1-35-32-10-5-4-9-27(32)23-36-19-6-20-37-30-15-12-28(13-16-30)34-18-17-33-22-29(34)24-38-31-14-11-25-7-2-3-8-26(25)21-31/h4-5,9-16,21,29,33H,2-3,6-8,17-20,22-24H2,1H3/t29-/m1/s1
InChIKeyUMWUHBWCBWENIX-GDLZYMKVSA-N
XLogP5.42
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine?
The IUPAC name of (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine (CID 23647868) is (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine.
What is the SMILES notation for (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine?
The canonical SMILES for (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine is COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine?
The InChIKey is UMWUHBWCBWENIX-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-35-32-10-5-4-9-27(32)23-36-19-6-20-37-30-15-12-28(13-16-30)34-18-17-33-22-29(34)24-38-31-14-11-25-7-2-3-8-26(25)21-31/h4-5,9-16,21,29,33H,2-3,6-8,17-20,22-24H2,1H3/t29-/m1/s1.
What are the key properties of (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine?
(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine has a molecular weight of 516.68 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperazine is sourced from PubChem (CID 23647868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).