1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine

C27H32N2O — CID 10938233

IUPAC1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine
SMILESCOc1cccc(C2CCC(N3CCN(c4cccc5ccccc45)CC3)CC2)c1
InChIInChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3
InChIKeyRBBSEEBITXSZAO-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.70
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine

1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine (PubChem CID 10938233) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine
PubChem CID10938233
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine
SMILESCOc1cccc(C2CCC(N3CCN(c4cccc5ccccc45)CC3)CC2)c1
InChIInChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3
InChIKeyRBBSEEBITXSZAO-UHFFFAOYSA-N
XLogP5.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine (CID 10938233) is 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine is COc1cccc(C2CCC(N3CCN(c4cccc5ccccc45)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine?
The InChIKey is RBBSEEBITXSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine?
1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine has a molecular weight of 400.57 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)cyclohexyl]-4-naphthalen-1-ylpiperazine is sourced from PubChem (CID 10938233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).