1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine

C16H19BrN2 — CID 171934677

IUPAC1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc3cccc(Br)c23)CC1
InChIInChI=1S/C16H19BrN2/c1-18-8-10-19(11-9-18)12-14-6-2-4-13-5-3-7-15(17)16(13)14/h2-7H,8-12H2,1H3
InChIKeyYHLYVJHSQRNUTJ-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.35
Rot. Bonds2

About 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine

1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine (PubChem CID 171934677) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine
PubChem CID171934677
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc3cccc(Br)c23)CC1
InChIInChI=1S/C16H19BrN2/c1-18-8-10-19(11-9-18)12-14-6-2-4-13-5-3-7-15(17)16(13)14/h2-7H,8-12H2,1H3
InChIKeyYHLYVJHSQRNUTJ-UHFFFAOYSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-2-nitrophenyl)methyl]-4-methylpiperazine
CID 155387476
1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
CID 125115938
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
1-[(4-bromo-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 117172246
2-bromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 82974919
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
4-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10004719
1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965679
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 172648016
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208

Frequently Asked Questions

What is the IUPAC name of 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine (CID 171934677) is 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine is CN1CCN(Cc2cccc3cccc(Br)c23)CC1.
What is the InChIKey of 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine?
The InChIKey is YHLYVJHSQRNUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-18-8-10-19(11-9-18)12-14-6-2-4-13-5-3-7-15(17)16(13)14/h2-7H,8-12H2,1H3.
What are the key properties of 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine?
1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine has a molecular weight of 319.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 171934677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).