1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine

C28H28N2 — CID 3431056

IUPAC1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C28H28N2/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)30-20-18-29(19-21-30)22-26-16-9-15-23-10-7-8-17-27(23)26/h1-17,28H,18-22H2
InChIKeyVSTCSMUXEJYQGW-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.75
Rot. Bonds5

About 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine

1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 3431056) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID3431056
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C28H28N2/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)30-20-18-29(19-21-30)22-26-16-9-15-23-10-7-8-17-27(23)26/h1-17,28H,18-22H2
InChIKeyVSTCSMUXEJYQGW-UHFFFAOYSA-N
XLogP5.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
4-[(4-benzhydrylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
CID 3331670
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
CID 4529785
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17384961
4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 101165281
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
3-[(4-benzhydrylpiperazin-1-yl)methyl]dibenzofuran-2-ol
CID 2129253
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine (CID 3431056) is 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine is c1ccc(C(c2ccccc2)N2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is VSTCSMUXEJYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)30-20-18-29(19-21-30)22-26-16-9-15-23-10-7-8-17-27(23)26/h1-17,28H,18-22H2.
What are the key properties of 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine?
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 392.55 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 3431056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).