1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride

C29H32Cl2N2O — CID 155566491

IUPAC1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride
SMILESCl.Cl.c1ccc(N2CCN(Cc3ccc(CCOc4cccc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C29H30N2O.2ClH/c1-2-9-27(10-3-1)31-20-18-30(19-21-31)23-25-15-13-24(14-16-25)17-22-32-29-12-6-8-26-7-4-5-11-28(26)29;;/h1-16H,17-23H2;2*1H
InChIKeyKMVKMTZVJKNYBR-UHFFFAOYSA-N
MW495.49 g/mol
LogP6.63
Rot. Bonds7

About 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride

1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride (PubChem CID 155566491) has the molecular formula C29H32Cl2N2O and a molecular weight of 495.49 g/mol. Its IUPAC name is 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride
PubChem CID155566491
Molecular FormulaC29H32Cl2N2O
Molecular Weight495.49 g/mol
Exact Mass494.19
IUPAC Name1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride
SMILESCl.Cl.c1ccc(N2CCN(Cc3ccc(CCOc4cccc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C29H30N2O.2ClH/c1-2-9-27(10-3-1)31-20-18-30(19-21-31)23-25-15-13-24(14-16-25)17-22-32-29-12-6-8-26-7-4-5-11-28(26)29;;/h1-16H,17-23H2;2*1H
InChIKeyKMVKMTZVJKNYBR-UHFFFAOYSA-N
XLogP6.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride?
The IUPAC name of 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride (CID 155566491) is 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride?
The canonical SMILES for 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride is Cl.Cl.c1ccc(N2CCN(Cc3ccc(CCOc4cccc5ccccc45)cc3)CC2)cc1.
What is the InChIKey of 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride?
The InChIKey is KMVKMTZVJKNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O.2ClH/c1-2-9-27(10-3-1)31-20-18-30(19-21-31)23-25-15-13-24(14-16-25)17-22-32-29-12-6-8-26-7-4-5-11-28(26)29;;/h1-16H,17-23H2;2*1H.
What are the key properties of 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride?
1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride has a molecular weight of 495.49 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride is sourced from PubChem (CID 155566491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).