1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine

C27H27N3O — CID 22115611

IUPAC1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
SMILESCN1CCN(c2cccc3ccc(OCc4cccc(-c5ccccc5)n4)cc23)CC1
InChIInChI=1S/C27H27N3O/c1-29-15-17-30(18-16-29)27-12-5-9-21-13-14-24(19-25(21)27)31-20-23-10-6-11-26(28-23)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3
InChIKeyXKGCFJSDTPQYGJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.23
Rot. Bonds5

About 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine (PubChem CID 22115611) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
PubChem CID22115611
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
SMILESCN1CCN(c2cccc3ccc(OCc4cccc(-c5ccccc5)n4)cc23)CC1
InChIInChI=1S/C27H27N3O/c1-29-15-17-30(18-16-29)27-12-5-9-21-13-14-24(19-25(21)27)31-20-23-10-6-11-26(28-23)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3
InChIKeyXKGCFJSDTPQYGJ-UHFFFAOYSA-N
XLogP5.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 176149
CID 176149
CID 10172853
CID 10172853
CID 16682554
CID 16682554
CID 24946059
CID 24946059
CID 25191765
CID 25191765
CID 25192335
CID 25192335
CID 25192338
CID 25192338
CID 44546588
CID 44546588
CID 12116222
CID 12116222
CID 23724035
CID 23724035
CID 24865539
CID 24865539
CID 44350897
CID 44350897

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine (CID 22115611) is 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine is CN1CCN(c2cccc3ccc(OCc4cccc(-c5ccccc5)n4)cc23)CC1.
What is the InChIKey of 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
The InChIKey is XKGCFJSDTPQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-29-15-17-30(18-16-29)27-12-5-9-21-13-14-24(19-25(21)27)31-20-23-10-6-11-26(28-23)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3.
What are the key properties of 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine has a molecular weight of 409.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 22115611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).